Lines Matching refs:C
5 8.8980 12.3580 -20.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
7 6.9120 11.0260 -21.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
8 6.1930 9.9110 -20.5300 C 0 0 2 0 0 0 0 0 0 0 0 0
9 7.3860 8.9760 -20.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
10 8.4680 9.9810 -19.8610 C 0 0 1 0 0 0 0 0 0 0 0 0
11 9.8270 9.4740 -20.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
13 8.4520 13.5670 -21.3190 C 0 0 1 0 0 0 0 0 0 0 0 0
16 9.0550 13.5150 -22.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
17 8.4710 16.9430 -19.5140 C 0 0 2 0 0 0 0 0 0 0 0 0
18 8.0050 15.6920 -20.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
20 10.5830 13.5050 -22.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
21 11.1850 13.4540 -24.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
22 10.7330 14.6820 -24.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
23 9.2050 14.6910 -24.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
24 8.6030 14.7420 -23.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
25 8.5420 16.6870 -18.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
27 7.4580 18.2800 -21.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
30 11.8780 8.2440 -19.8110 C 0 0 2 0 0 0 0 0 0 0 0 0
31 11.7220 6.9020 -20.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
32 13.1170 6.3020 -20.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
33 13.6720 5.8790 -19.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
34 13.5700 7.0110 -18.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
35 12.7430 8.0950 -18.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
36 12.6910 9.1020 -17.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
37 13.4620 9.0270 -16.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
38 14.2950 7.9410 -16.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
39 14.3470 6.9380 -17.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
40 4.4890 8.2670 -20.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
41 3.7340 8.5170 -19.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
42 3.0160 7.4950 -19.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
43 3.0520 6.2230 -19.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
44 3.8030 5.9700 -20.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
45 4.5170 6.9900 -21.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
120 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
126 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
129 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
148 8.3520 13.6690 -21.4320 C 0 0 2 0 0 0 0 0 0 0 0 0
149 9.0670 13.5340 -22.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
150 10.5290 13.9550 -22.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
151 11.2440 13.8200 -23.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
152 10.5600 14.7190 -25.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
153 9.0980 14.2980 -25.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
154 8.3830 14.4320 -23.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
156 8.6730 12.4740 -20.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
157 8.3780 17.1110 -19.7570 C 0 0 2 0 0 0 0 0 0 0 0 0
158 7.9140 15.8540 -20.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
162 8.3100 16.9140 -18.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
164 6.7000 11.1990 -21.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
165 5.8660 10.1480 -20.7040 C 0 0 2 0 0 0 0 0 0 0 0 0
166 6.9890 9.1750 -20.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
167 8.0790 10.1480 -19.8460 C 0 0 1 0 0 0 0 0 0 0 0 0
168 9.4420 9.5670 -20.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
170 7.5740 18.4200 -21.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
173 11.3880 8.2680 -19.4420 C 0 0 2 0 0 0 0 0 0 0 0 0
174 4.5690 8.2370 -21.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
175 11.2260 6.9120 -20.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
176 10.6310 5.9420 -19.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
177 11.7110 5.6570 -18.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
178 12.2880 6.9310 -17.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
179 12.1410 8.1420 -18.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
180 12.6950 9.2870 -17.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
181 13.3900 9.2220 -16.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
182 13.5360 8.0090 -15.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
183 12.9860 6.8690 -16.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
184 4.0000 7.9320 -20.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
185 3.6540 6.6270 -19.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
186 3.8760 5.6260 -20.6730 C 0 0 0 0 0 0 0 0 0 0 0 0
187 4.4430 5.9280 -21.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
188 4.7860 7.2320 -22.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
263 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
269 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
272 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
291 8.8550 12.6690 -20.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
293 6.8570 11.2770 -21.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
294 6.3990 9.8590 -20.6090 C 0 0 2 0 0 0 0 0 0 0 0 0
295 7.7190 9.1860 -20.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
296 8.4580 10.3720 -19.4790 C 0 0 1 0 0 0 0 0 0 0 0 0
297 9.9460 10.1330 -19.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
299 8.3900 13.7930 -21.3010 C 0 0 1 0 0 0 0 0 0 0 0 0
302 8.9600 13.5990 -22.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
303 8.4440 17.3330 -19.8470 C 0 0 2 0 0 0 0 0 0 0 0 0
304 7.9640 16.0190 -20.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
306 10.4110 14.0840 -22.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
307 8.1300 14.4030 -23.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
308 8.5490 17.2320 -18.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
310 10.9810 13.8900 -24.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
311 10.1510 14.6950 -25.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
312 8.6990 14.2100 -25.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
313 7.3890 18.4920 -21.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
316 11.9090 8.8480 -18.8310 C 0 0 2 0 0 0 0 0 0 0 0 0
317 12.2770 8.0210 -20.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
318 11.6980 6.6160 -19.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
319 12.5020 5.9350 -18.7620 C 0 0 0 0 0 0 0 0 0 0 0 0
320 12.5740 6.7920 -17.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
321 12.3010 8.1430 -17.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
322 12.3840 8.8900 -16.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
323 12.7370 8.2890 -15.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
324 13.0090 6.9350 -15.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
325 12.9270 6.1900 -16.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
326 4.8780 8.2500 -21.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
327 4.8800 7.5580 -20.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
328 3.8960 6.6230 -20.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
329 2.9090 6.3780 -20.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
330 2.9050 7.0670 -22.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
331 3.8820 8.0070 -22.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
406 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
412 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
415 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
434 8.7980 12.8080 -20.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
436 6.8550 11.4090 -21.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
437 6.1020 10.3730 -20.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
438 7.2840 9.4570 -20.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
439 8.3250 10.4930 -19.9210 C 0 0 1 0 0 0 0 0 0 0 0 0
440 9.7140 9.9740 -20.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
441 8.3980 13.9480 -21.6610 C 0 0 1 0 0 0 0 0 0 0 0 0
444 9.0760 13.7840 -23.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
445 8.4110 17.1790 -19.6080 C 0 0 2 0 0 0 0 0 0 0 0 0
446 7.9820 15.8740 -20.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
448 10.5950 13.7860 -22.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
449 10.8670 14.7810 -25.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
450 9.3480 14.7790 -25.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
451 8.6700 14.9430 -23.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
452 8.3990 17.0460 -18.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
454 11.2730 13.6230 -24.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
455 7.4940 18.3710 -21.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
458 11.7330 8.8030 -19.4830 C 0 0 2 0 0 0 0 0 0 0 0 0
459 11.6390 7.4120 -20.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
460 13.0500 6.8140 -20.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
461 13.5000 6.4960 -18.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
462 13.3150 7.6940 -17.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
463 12.5000 8.7510 -18.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
464 12.3680 9.8240 -17.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
465 13.0490 9.8390 -16.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
466 13.8700 8.7790 -15.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
467 14.0010 7.7120 -16.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
532 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
538 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
541 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
560 8.8720 12.5560 -20.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
562 6.7440 11.3670 -20.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
563 6.2910 9.8960 -20.7920 C 0 0 2 0 0 0 0 0 0 0 0 0
564 7.6350 9.1230 -20.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
565 8.5230 10.1000 -19.9260 C 0 0 1 0 0 0 0 0 0 0 0 0
566 9.9780 9.8640 -20.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
568 8.6870 13.6480 -21.3370 C 0 0 1 0 0 0 0 0 0 0 0 0
571 9.6100 13.3920 -22.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
572 8.4010 16.9940 -19.4990 C 0 0 2 0 0 0 0 0 0 0 0 0
573 8.0610 15.6640 -20.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
575 9.8080 14.6930 -23.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
576 8.9800 12.3400 -23.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
577 8.0910 16.9530 -18.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
579 7.8980 18.0900 -21.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
580 10.7310 14.4370 -24.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
581 10.1010 13.3840 -25.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
582 9.9020 12.0830 -24.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
585 12.1150 8.7880 -19.7770 C 0 0 2 0 0 0 0 0 0 0 0 0
586 12.2370 7.6610 -20.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
587 13.7180 7.2890 -20.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
588 14.1630 6.6010 -19.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
589 13.7860 7.4290 -18.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
590 12.8420 8.4310 -18.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
591 12.5350 9.1520 -17.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
592 13.1700 8.8770 -16.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
593 14.1190 7.8740 -16.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
594 14.4240 7.1540 -17.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
595 4.5790 8.5620 -21.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
596 4.7410 7.5900 -20.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
597 3.7690 6.6250 -20.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
598 2.6360 6.6270 -21.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
599 2.4740 7.5930 -22.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
600 3.4400 8.5640 -22.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
675 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
681 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
684 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
703 8.7570 12.7960 -20.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
705 6.8250 11.4370 -21.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
706 6.7180 9.8950 -21.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
707 7.1530 9.4530 -20.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
708 8.2400 10.4860 -19.8710 C 0 0 1 0 0 0 0 0 0 0 0 0
709 9.6060 9.9180 -20.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
710 8.4030 13.9440 -21.6090 C 0 0 1 0 0 0 0 0 0 0 0 0
713 9.1250 13.7740 -22.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
714 8.3850 17.1700 -19.5470 C 0 0 2 0 0 0 0 0 0 0 0 0
715 7.9620 15.8720 -20.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
717 10.6370 13.7570 -22.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
718 10.9980 14.7530 -24.9760 C 0 0 0 0 0 0 0 0 0 0 0 0
719 9.4860 14.7700 -25.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
720 8.7650 14.9390 -23.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
721 8.3200 17.0340 -18.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
723 11.3570 13.5880 -24.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
724 7.5490 18.3770 -21.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
727 11.6020 8.6990 -19.4730 C 0 0 2 0 0 0 0 0 0 0 0 0
728 11.4510 7.2990 -20.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
729 12.8410 6.6560 -20.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
730 13.3150 6.3530 -18.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
731 13.1860 7.5740 -17.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
732 12.3970 8.6500 -18.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
733 12.3180 9.7430 -17.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
734 13.0270 9.7610 -16.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
735 13.8220 8.6830 -15.8170 C 0 0 0 0 0 0 0 0 0 0 0 0
736 13.9000 7.5960 -16.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
801 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
807 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
810 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
829 8.9580 12.5550 -20.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
831 7.0380 11.1350 -21.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
832 6.3210 10.0350 -20.6630 C 0 0 2 0 0 0 0 0 0 0 0 0
833 7.5290 9.1480 -20.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
834 8.5690 10.1990 -19.9200 C 0 0 1 0 0 0 0 0 0 0 0 0
835 9.9540 9.7140 -20.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
837 8.5090 13.7170 -21.5340 C 0 0 1 0 0 0 0 0 0 0 0 0
840 9.1620 13.6210 -22.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
841 8.4780 16.8700 -19.3640 C 0 0 2 0 0 0 0 0 0 0 0 0
842 8.0710 15.5780 -20.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
844 10.6830 13.6590 -22.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
845 8.7490 12.3090 -23.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
846 8.7050 14.8000 -23.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
847 8.5020 16.6820 -17.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
849 7.4900 18.1030 -21.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
852 12.0200 8.5620 -19.6760 C 0 0 2 0 0 0 0 0 0 0 0 0
853 11.9250 7.1880 -20.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
854 13.3420 6.6190 -20.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
855 13.8600 6.2710 -19.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
856 13.6920 7.4410 -18.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
857 12.8450 8.4910 -18.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
858 12.7320 9.5360 -17.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
859 13.4640 9.5330 -16.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
860 14.3180 8.4810 -16.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
861 14.4310 7.4390 -16.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
862 4.6710 8.3360 -20.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
863 3.8690 8.6140 -19.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
864 3.1600 7.5990 -19.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
865 3.2470 6.3050 -19.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
866 4.0450 6.0250 -20.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
867 4.7520 7.0390 -21.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
939 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
945 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
948 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
967 8.8300 12.8180 -20.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
969 6.8940 11.4250 -21.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
970 6.1360 10.3800 -20.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
971 7.3160 9.4610 -20.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
972 8.3530 10.4950 -19.9620 C 0 0 1 0 0 0 0 0 0 0 0 0
973 9.7460 9.9800 -20.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
974 8.4360 13.9650 -21.6720 C 0 0 1 0 0 0 0 0 0 0 0 0
977 9.1240 13.8150 -23.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
978 8.4300 17.1790 -19.5890 C 0 0 2 0 0 0 0 0 0 0 0 0
979 8.0060 15.8790 -20.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
981 10.6410 13.8170 -22.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
982 8.6930 12.4960 -23.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
983 8.7230 14.9800 -23.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
984 8.4070 17.0320 -18.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
986 7.5260 18.3860 -21.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
989 11.7580 8.8040 -19.5150 C 0 0 2 0 0 0 0 0 0 0 0 0
990 11.6710 7.4190 -20.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
991 13.0830 6.8230 -20.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
992 13.5230 6.4920 -18.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
993 13.3300 7.6830 -17.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
994 12.5170 8.7420 -18.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
995 12.3770 9.8060 -17.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
996 13.0500 9.8120 -16.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
997 13.8700 8.7500 -15.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
998 14.0080 7.6910 -16.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
1062 C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC2CCCc3c2cccc3)C(C)(C)C)NC
1068 [H][C@](C)(NC)C(=O)N[C@@]([H])(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C(C)(C)C
1071 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
1090 8.6590 12.6070 -20.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
1092 6.7480 11.2830 -21.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
1093 5.8310 10.3320 -20.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
1094 6.9030 9.3690 -19.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
1095 7.9440 10.3640 -19.4780 C 0 0 1 0 0 0 0 0 0 0 0 0
1096 9.3210 9.7570 -19.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
1097 8.4470 13.7230 -21.3310 C 0 0 1 0 0 0 0 0 0 0 0 0
1100 9.2810 13.4580 -22.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
1101 8.3960 17.0430 -19.4240 C 0 0 2 0 0 0 0 0 0 0 0 0
1102 7.9700 15.7360 -20.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
1104 10.7620 13.3840 -22.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
1105 8.8480 12.1310 -23.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
1106 9.0650 14.5920 -23.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
1107 8.1830 16.9840 -17.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
1109 7.7990 18.1930 -21.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
1112 10.9450 8.0640 -18.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
1113 10.8790 6.5890 -18.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
1114 10.2270 5.5420 -19.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
1115 10.3400 4.2600 -18.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
1116 11.1090 4.0280 -17.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
1117 11.7640 5.0710 -16.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
1118 11.6540 6.3660 -17.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
1119 12.2410 7.6490 -16.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
1120 11.8320 8.6750 -17.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
1121 12.2490 9.9690 -17.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
1122 13.0790 10.2560 -16.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
1123 13.4920 9.2440 -15.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
1124 13.0780 7.9450 -15.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
1192 C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC2c3ccccc3-c4c2cccc4)C(C)(C)C)NC
1198 [H][C@](C)(NC)C(=O)N[C@@]([H])(C(=O)N1CCC[C@]1([H])C(=O)NC1c2ccccc2-c2ccccc21)C(C)(C)C
1201 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2-c2ccccc21)C(C)(C)C
1220 8.6900 12.7160 -20.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
1222 6.5000 11.5590 -20.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
1223 6.0300 10.1270 -20.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
1224 7.3390 9.3420 -20.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
1225 8.3080 10.2690 -19.8760 C 0 0 1 0 0 0 0 0 0 0 0 0
1226 9.7340 9.9890 -20.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
1227 8.4480 13.8020 -21.3320 C 0 0 1 0 0 0 0 0 0 0 0 0
1230 9.2650 13.5140 -22.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
1231 8.3830 17.1710 -19.5150 C 0 0 2 0 0 0 0 0 0 0 0 0
1232 7.9650 15.8430 -20.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
1234 10.7530 13.4690 -22.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
1235 11.5700 13.1800 -23.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
1236 11.3240 14.2840 -24.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
1237 9.8370 14.3270 -24.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
1238 9.0200 14.6160 -23.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
1239 8.1950 17.1510 -17.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
1241 7.7390 18.2580 -21.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
1244 11.8600 8.8430 -19.9560 C 0 0 2 0 0 0 0 0 0 0 0 0
1245 11.8810 7.7190 -20.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
1246 13.3380 7.3020 -21.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
1247 13.8410 6.5920 -19.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
1248 13.5640 7.4230 -18.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
1249 12.6530 8.4550 -18.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
1250 12.4410 9.1790 -17.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
1251 13.1380 8.8750 -16.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
1252 14.0560 7.8420 -16.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
1253 14.2680 7.1210 -17.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
1318 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
1324 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
1327 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
1346 8.6200 12.4960 -20.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
1348 6.8850 11.0660 -21.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
1349 6.2470 9.7820 -20.7940 C 0 0 2 0 0 0 0 0 0 0 0 0
1350 7.5210 8.9610 -20.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
1351 8.4340 10.0180 -19.9030 C 0 0 1 0 0 0 0 0 0 0 0 0
1352 9.8740 9.7260 -20.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
1354 8.6120 13.5670 -21.2970 C 0 0 1 0 0 0 0 0 0 0 0 0
1357 9.8570 13.4210 -22.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
1358 7.6060 17.1040 -20.2320 C 0 0 1 0 0 0 0 0 0 0 0 0
1359 7.6030 15.7460 -20.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
1361 10.1230 14.7400 -22.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
1362 11.3670 14.5950 -23.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
1363 11.1390 13.4820 -24.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
1364 10.8730 12.1640 -24.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
1365 9.6290 12.3100 -23.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
1366 7.6160 16.9360 -18.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
1368 8.7940 18.0070 -22.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
1371 12.0180 8.6830 -19.7370 C 0 0 2 0 0 0 0 0 0 0 0 0
1372 12.0870 7.4400 -20.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
1373 13.5590 7.0350 -20.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
1374 14.0490 6.4990 -19.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
1375 13.7270 7.4690 -18.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
1376 12.7910 8.4700 -18.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
1377 12.5370 9.3280 -17.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
1378 13.2160 9.1870 -16.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
1379 14.1590 8.1850 -16.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
1380 14.4110 7.3310 -17.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
1381 4.3460 8.4410 -21.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
1382 4.4220 7.8300 -20.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
1383 3.3440 7.1130 -19.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
1384 2.1910 7.0030 -20.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
1385 2.1130 7.6110 -21.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
1386 3.1850 8.3340 -22.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
1461 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
1467 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
1470 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
1489 8.7350 12.5160 -20.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
1491 6.5550 11.3510 -20.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
1492 6.0900 9.8880 -20.5630 C 0 0 2 0 0 0 0 0 0 0 0 0
1493 7.4240 9.0960 -20.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
1494 8.3790 10.0700 -19.8570 C 0 0 1 0 0 0 0 0 0 0 0 0
1495 9.8070 9.8090 -20.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
1497 8.4950 13.5970 -21.3270 C 0 0 1 0 0 0 0 0 0 0 0 0
1500 9.3280 13.3100 -22.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
1501 8.3830 16.9720 -19.5210 C 0 0 2 0 0 0 0 0 0 0 0 0
1502 7.9820 15.6370 -20.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
1504 10.8120 13.2800 -22.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
1505 8.9210 11.9570 -23.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
1506 9.0850 14.4090 -23.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
1507 8.1790 16.9540 -18.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1509 7.7530 18.0470 -21.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
1512 11.9550 8.7070 -19.9380 C 0 0 2 0 0 0 0 0 0 0 0 0
1513 11.9890 7.5650 -20.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
1514 13.4520 7.1690 -21.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
1515 13.9760 6.4920 -19.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
1516 13.6940 7.3410 -18.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
1517 12.7630 8.3560 -18.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
1518 12.5470 9.0970 -17.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
1519 13.2590 8.8280 -16.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
1520 14.1960 7.8130 -16.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
1521 14.4110 7.0730 -17.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
1522 4.2970 8.5670 -21.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
1523 4.5120 7.6070 -20.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
1524 3.5420 6.6580 -20.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1525 2.3560 6.6660 -20.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
1526 2.1390 7.6220 -21.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
1527 3.1040 8.5750 -22.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
1599 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
1605 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
1608 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
1627 9.0890 12.8420 -20.7970 C 0 0 0 0 0 0 0 0 0 0 0 0
1629 7.2050 11.3340 -21.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
1630 6.5370 10.2400 -20.6450 C 0 0 2 0 0 0 0 0 0 0 0 0
1631 7.7780 9.4050 -20.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
1632 8.7890 10.5020 -19.9450 C 0 0 1 0 0 0 0 0 0 0 0 0
1633 10.1840 10.0500 -20.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
1635 8.5890 13.9570 -21.6790 C 0 0 1 0 0 0 0 0 0 0 0 0
1638 9.2240 13.8350 -23.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
1639 8.4880 17.1820 -19.6180 C 0 0 2 0 0 0 0 0 0 0 0 0
1640 8.1130 15.8550 -20.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
1642 10.7460 13.9270 -22.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
1643 11.3810 13.8050 -24.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
1644 10.8730 14.9380 -25.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
1645 9.3500 14.8450 -25.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
1646 8.7160 14.9670 -23.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
1647 8.5410 17.0480 -18.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
1649 7.4330 18.3180 -21.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
1652 12.0680 8.5280 -20.0230 C 0 0 2 0 0 0 0 0 0 0 0 0
1653 12.0060 7.5950 -21.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
1654 11.3200 6.3010 -20.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
1655 12.2830 5.5690 -19.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
1656 12.7730 6.4700 -18.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
1657 12.6750 7.8420 -18.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
1658 13.1440 8.6290 -17.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
1659 13.7060 8.0460 -16.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
1660 13.8020 6.6700 -16.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
1661 13.3360 5.8850 -17.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
1662 4.9400 8.4830 -20.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
1663 4.1470 8.7730 -19.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
1664 3.4800 7.7570 -19.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
1665 3.6030 6.4520 -19.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
1666 4.3920 6.1590 -20.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
1667 5.0570 7.1730 -21.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
1742 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
1748 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
1751 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
1770 8.6950 12.7280 -20.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
1772 6.5060 11.5650 -20.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
1773 6.0410 10.1330 -20.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
1774 7.3510 9.3520 -20.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
1775 8.3210 10.2800 -19.8650 C 0 0 1 0 0 0 0 0 0 0 0 0
1776 9.7460 10.0040 -20.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
1777 8.4450 13.8150 -21.3200 C 0 0 1 0 0 0 0 0 0 0 0 0
1780 9.2570 13.5290 -22.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
1781 8.3790 17.1830 -19.5000 C 0 0 2 0 0 0 0 0 0 0 0 0
1782 7.9630 15.8530 -20.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
1784 10.7470 13.4890 -22.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
1785 8.8330 12.1800 -23.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
1786 9.0030 14.6320 -23.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
1787 8.1990 17.1600 -17.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
1789 7.7230 18.2700 -21.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
1792 11.8770 8.8640 -19.9620 C 0 0 2 0 0 0 0 0 0 0 0 0
1793 11.8960 7.7410 -20.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
1794 13.3530 7.3280 -21.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
1795 13.8640 6.6180 -19.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
1796 13.5910 7.4480 -18.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
1797 12.6760 8.4770 -18.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
1798 12.4670 9.2000 -17.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
1799 13.1710 8.8980 -16.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
1800 14.0930 7.8680 -16.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
1801 14.3010 7.1470 -17.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
1865 C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC2CCCc3c2cccc3)C(C)(C)C)NC
1871 [H][C@](C)(NC)C(=O)N[C@@]([H])(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C(C)(C)C
1874 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
1893 8.4010 13.0500 -20.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
1895 7.2330 11.0880 -21.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
1896 6.6310 9.8760 -20.7570 C 0 0 2 0 0 0 0 0 0 0 0 0
1897 7.8790 9.4010 -19.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
1898 8.4460 10.7320 -19.4900 C 0 0 1 0 0 0 0 0 0 0 0 0
1899 9.9480 10.6540 -19.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
1901 7.9220 13.9780 -21.5320 C 0 0 1 0 0 0 0 0 0 0 0 0
1904 8.4410 13.4890 -22.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
1905 8.0790 17.7400 -20.8380 C 0 0 1 0 0 0 0 0 0 0 0 0
1906 7.5610 16.3490 -21.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
1908 9.8970 13.9240 -23.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
1909 10.4160 13.4350 -24.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
1910 9.5650 14.0350 -25.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
1911 8.1080 13.5980 -25.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
1912 7.5890 14.0890 -24.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
1913 7.5930 18.6820 -21.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
1915 8.0460 17.3070 -18.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
1918 12.0030 9.4050 -19.0050 C 0 0 2 0 0 0 0 0 0 0 0 0
1919 12.5820 9.1420 -20.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
1920 12.1820 7.7200 -20.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
1921 12.9750 6.7500 -19.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
1922 12.8270 7.0810 -18.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
1923 12.3780 8.3120 -18.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
1924 12.2620 8.5700 -16.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
1925 12.5910 7.5990 -15.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
1926 13.0380 6.3640 -16.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
1927 13.1560 6.1070 -17.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
1928 4.8500 8.5610 -21.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
1929 4.1550 8.6590 -20.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
1930 2.8130 8.3350 -20.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
1931 2.1620 7.9130 -21.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
1932 2.8520 7.8150 -22.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
1933 4.1920 8.1440 -22.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
2008 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
2014 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
2017 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
2036 8.2380 13.6670 -21.4660 C 0 0 2 0 0 0 0 0 0 0 0 0
2037 8.7320 13.5350 -22.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
2038 10.1970 13.9680 -22.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
2039 10.6910 13.8350 -24.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
2040 9.8460 14.7260 -25.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
2041 8.3810 14.2930 -25.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
2042 7.8870 14.4250 -23.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
2044 8.7010 12.4780 -20.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
2045 8.5000 17.1150 -19.8200 C 0 0 2 0 0 0 0 0 0 0 0 0
2046 7.9440 15.8520 -20.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
2050 8.6740 16.9210 -18.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
2052 6.6210 11.1850 -21.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
2053 5.9270 10.1300 -20.3500 C 0 0 2 0 0 0 0 0 0 0 0 0
2054 7.1070 9.1670 -20.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
2055 8.2470 10.1490 -19.8520 C 0 0 1 0 0 0 0 0 0 0 0 0
2056 9.5540 9.5780 -20.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
2058 7.4050 18.4120 -21.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
2061 11.5940 8.2950 -19.9730 C 0 0 2 0 0 0 0 0 0 0 0 0
2062 4.5730 8.2070 -20.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
2063 11.3420 6.9310 -20.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
2064 12.6970 6.2730 -20.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
2065 13.3380 5.8900 -19.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
2066 13.3460 7.0650 -18.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
2067 12.5430 8.1690 -18.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
2068 12.5940 9.2160 -17.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
2069 13.4460 9.1630 -16.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
2070 14.2560 8.0580 -16.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
2071 14.2040 7.0150 -17.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
2072 4.2070 7.9010 -19.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
2073 3.9230 6.5940 -19.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
2074 4.0030 5.5930 -19.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
2075 4.3670 5.8960 -21.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
2076 4.6470 7.2020 -21.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
2151 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
2157 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
2160 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
2179 9.0580 12.8340 -20.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
2181 7.2160 11.3580 -21.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
2182 6.5130 10.1890 -20.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
2183 7.2660 9.9110 -19.6970 C 0 0 2 0 0 0 0 0 0 0 0 0
2184 8.6500 10.4990 -19.9820 C 0 0 1 0 0 0 0 0 0 0 0 0
2185 9.4110 9.4540 -20.7680 C 0 0 2 0 0 0 0 0 0 0 0 0
2186 8.4670 8.2710 -20.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
2187 7.5500 8.3890 -19.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
2189 8.6410 13.9580 -21.7140 C 0 0 1 0 0 0 0 0 0 0 0 0
2192 9.3700 13.8250 -23.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
2193 8.4510 17.1830 -19.6600 C 0 0 2 0 0 0 0 0 0 0 0 0
2194 8.0980 15.8630 -20.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
2196 10.8810 13.8900 -22.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
2197 9.0110 12.4850 -23.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
2198 8.9480 14.9670 -23.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
2199 8.3950 17.0480 -18.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
2201 7.5500 18.3390 -21.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
2202 11.6940 8.6040 -20.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
2205 13.9750 7.7480 -20.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
2206 12.8140 8.2870 -18.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
2207 13.0260 7.1350 -17.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
2208 13.0440 7.1980 -16.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
2209 12.8500 8.4100 -15.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
2210 12.6360 9.5600 -16.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
2211 12.6240 9.5020 -17.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
2282 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)N(C)c3ccc(cc3)F)C(C)(C)C)NC
2288 [H][C@]1(NC(=O)N(C)c2ccc(F)cc2)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@]1…
2291 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@H]21)C(C)(C)C
2310 8.7890 13.0820 -20.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
2312 6.8150 11.6490 -21.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
2313 6.3910 10.2220 -20.7060 C 0 0 2 0 0 0 0 0 0 0 0 0
2314 7.7270 9.5760 -20.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
2315 8.4470 10.7760 -19.5940 C 0 0 1 0 0 0 0 0 0 0 0 0
2316 9.9390 10.5690 -19.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
2318 8.7420 13.8810 -21.8040 C 0 0 1 0 0 0 0 0 0 0 0 0
2321 9.8510 13.4030 -22.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
2322 8.0710 17.5450 -20.9240 C 0 0 1 0 0 0 0 0 0 0 0 0
2323 7.8720 16.0850 -21.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
2325 10.1380 14.4870 -23.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
2326 9.4050 12.1220 -23.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
2327 7.3280 18.3940 -21.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
2329 11.2470 14.0100 -24.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
2330 10.8010 12.7290 -25.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
2331 10.5160 11.6450 -24.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
2332 8.2620 17.0190 -18.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
2335 11.9340 9.3240 -18.9750 C 0 0 2 0 0 0 0 0 0 0 0 0
2336 12.3100 8.5070 -20.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
2337 11.7620 7.0900 -20.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
2338 12.5900 6.4250 -18.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
2339 12.6540 7.2830 -17.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
2340 12.3520 8.6280 -17.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
2341 12.4290 9.3760 -16.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
2342 12.8040 8.7820 -15.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
2343 13.1050 7.4330 -15.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
2344 13.0290 6.6870 -16.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
2345 4.8950 8.5820 -21.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
2346 4.9230 7.8880 -20.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
2347 3.9610 6.9340 -20.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
2348 2.9720 6.6680 -21.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
2349 2.9420 7.3570 -22.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
2350 3.8980 8.3180 -22.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
2425 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
2431 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
2434 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
2453 8.8770 12.7830 -20.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
2455 7.0060 11.4230 -21.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
2456 6.1190 10.3820 -20.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
2457 7.1760 9.4780 -20.1830 C 0 0 2 0 0 0 0 0 0 0 0 0
2458 8.3220 10.4670 -19.8390 C 0 0 1 0 0 0 0 0 0 0 0 0
2459 9.6360 9.7690 -20.2310 C 0 0 2 0 0 0 0 0 0 0 0 0
2460 9.2530 8.3800 -20.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
2461 7.7800 8.5370 -21.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
2463 8.5740 13.9350 -21.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
2466 9.3740 13.7770 -22.8340 C 0 0 0 0 0 0 0 0 0 0 0 0
2467 8.4190 17.1470 -19.4620 C 0 0 2 0 0 0 0 0 0 0 0 0
2468 8.0390 15.8510 -20.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
2470 10.8700 13.7640 -22.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
2471 8.9890 12.4630 -23.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
2472 9.0660 14.9480 -23.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
2473 8.2630 17.0000 -17.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
2475 7.6920 18.3630 -21.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
2476 11.6920 9.0110 -19.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
2478 12.5550 8.8630 -17.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
2479 12.5230 9.7720 -16.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
2481 14.2190 7.7650 -16.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
2482 13.4740 7.7290 -17.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
2483 13.7070 6.6530 -18.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
2484 14.6260 5.6840 -18.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
2485 15.3450 5.7400 -17.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
2486 15.1440 6.7900 -16.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
2557 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3csc4c3cccc4)C(C)(C)C)NC
2563 [H][C@]1(NC(=O)c2csc3ccccc23)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@]12[…
2566 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3csc4ccccc34)[C@H]21)C(C)(C)C
2585 9.1700 12.8140 -20.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
2587 6.8240 11.9310 -20.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
2588 6.1890 10.7470 -20.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
2589 7.3660 9.7560 -20.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
2590 8.5020 10.7220 -19.7180 C 0 0 1 0 0 0 0 0 0 0 0 0
2591 9.8440 10.1190 -20.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
2592 8.7590 13.9830 -21.8010 C 0 0 1 0 0 0 0 0 0 0 0 0
2595 9.5240 13.9410 -23.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
2596 8.4620 17.0780 -19.5660 C 0 0 2 0 0 0 0 0 0 0 0 0
2597 8.1460 15.7930 -20.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
2599 11.0270 14.0150 -22.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
2600 9.2040 12.6360 -23.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
2601 9.1070 15.1290 -23.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
2602 8.3690 16.8520 -18.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
2604 7.5900 18.3310 -21.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
2607 11.8190 8.8320 -19.4260 C 0 0 2 0 0 0 0 0 0 0 0 0
2608 11.6470 7.4120 -19.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
2609 12.9680 6.7720 -19.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
2610 13.3100 7.4560 -18.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
2611 12.6380 8.6640 -18.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
2612 12.7920 9.4840 -17.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
2613 13.6160 9.1010 -16.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
2614 14.2890 7.8940 -16.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
2615 14.1340 7.0700 -17.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
2680 C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCc3c2cccc3)C(C)(C)C)NC
2686 [H][C@](C)(NC)C(=O)N[C@@]([H])(C(=O)N1CCC[C@]1([H])C(=O)N[C@]1([H])CCc2ccccc21)C(C)(C)C
2689 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21)C(C)(C)C
2708 8.7810 12.3490 -20.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
2710 6.8000 10.9530 -21.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
2711 6.4350 9.4920 -20.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
2712 7.8280 8.8420 -20.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
2713 8.5740 9.8960 -19.8850 C 0 0 1 0 0 0 0 0 0 0 0 0
2714 10.0640 9.7510 -20.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
2715 8.1760 13.5820 -21.0290 C 0 0 1 0 0 0 0 0 0 0 0 0
2718 8.6030 13.6770 -22.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
2719 8.3280 17.0820 -19.4870 C 0 0 2 0 0 0 0 0 0 0 0 0
2720 7.8510 15.8610 -20.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
2722 9.3720 14.9820 -22.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
2723 9.5020 12.4890 -22.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
2724 7.3630 13.6570 -23.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
2725 7.9000 16.9870 -18.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
2727 8.1490 18.3760 -21.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
2730 12.2180 8.8500 -19.3540 C 0 0 2 0 0 0 0 0 0 0 0 0
2731 12.5390 7.6410 -20.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
2732 12.7230 6.5000 -19.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
2733 13.1580 7.1810 -17.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
2734 12.8680 8.5340 -18.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
2735 13.1800 9.3620 -16.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
2736 13.7820 8.8440 -15.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
2737 14.0720 7.4940 -15.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
2738 13.7600 6.6620 -16.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
2803 C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCc3c2cccc3)C(C)(C)C)NC
2809 [H][C@](C)(NC)C(=O)N[C@@]([H])(C(=O)N1CCC[C@]1([H])C(=O)N[C@]1([H])CCc2ccccc21)C(C)(C)C
2812 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21)C(C)(C)C
2831 9.0250 12.8600 -20.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
2833 7.1140 11.3640 -21.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
2834 6.4510 10.2840 -20.5920 C 0 0 2 0 0 0 0 0 0 0 0 0
2835 7.6900 9.4400 -20.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
2836 8.7170 10.5320 -19.9330 C 0 0 1 0 0 0 0 0 0 0 0 0
2837 10.1020 10.0620 -20.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
2839 8.5210 13.9720 -21.6950 C 0 0 1 0 0 0 0 0 0 0 0 0
2842 9.1310 13.8310 -23.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
2843 8.4850 17.2160 -19.6630 C 0 0 2 0 0 0 0 0 0 0 0 0
2844 8.0870 15.8870 -20.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
2846 10.6550 13.9090 -22.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
2847 8.7270 12.4820 -23.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
2848 8.6190 14.9600 -23.9880 C 0 0 0 0 0 0 0 0 0 0 0 0
2849 8.5640 17.0950 -18.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
2851 7.4100 18.3460 -21.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
2854 11.9750 8.5250 -20.0480 C 0 0 2 0 0 0 0 0 0 0 0 0
2855 11.8830 7.5810 -21.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
2856 11.1930 6.2980 -20.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
2857 12.1650 5.5640 -19.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
2858 12.6820 6.4710 -18.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
2859 12.5950 7.8440 -18.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
2860 13.0890 8.6360 -17.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
2861 13.6650 8.0580 -16.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
2862 13.7500 6.6810 -16.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
2863 13.2590 5.8920 -17.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
2864 5.2990 8.2360 -20.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
2865 4.8660 7.9450 -19.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
2866 4.6720 6.6330 -19.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
2867 4.9100 5.6080 -20.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
2868 5.3420 5.8950 -21.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
2869 5.5320 7.2060 -21.8520 C 0 0 0 0 0 0 0 0 0 0 0 0
2941 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
2947 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
2950 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
2969 8.9000 12.9980 -20.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
2971 7.2030 11.4220 -21.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
2972 6.5030 10.2600 -20.9470 C 0 0 2 0 0 0 0 0 0 0 0 0
2973 7.7390 9.4770 -20.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
2974 8.6370 10.6120 -19.9700 C 0 0 1 0 0 0 0 0 0 0 0 0
2975 10.0870 10.2500 -20.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
2977 8.4450 14.1200 -21.5940 C 0 0 1 0 0 0 0 0 0 0 0 0
2980 9.2460 14.0900 -22.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
2981 7.8370 17.5360 -19.9750 C 0 0 1 0 0 0 0 0 0 0 0 0
2982 7.6160 16.2170 -20.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
2984 10.7340 14.2580 -22.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
2985 9.0200 12.7510 -23.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
2986 8.7830 15.2290 -23.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
2987 8.4500 17.2880 -18.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
2989 8.1630 18.6010 -22.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
2992 12.0110 8.8210 -19.7200 C 0 0 2 0 0 0 0 0 0 0 0 0
2993 12.1490 7.9260 -20.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
2994 13.5860 7.3940 -21.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
2995 13.7710 6.3970 -19.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
2996 13.3230 7.0000 -18.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
2997 12.5110 8.1110 -18.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
2998 12.1290 8.6130 -17.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
2999 12.5570 8.0100 -16.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
3000 13.3760 6.8980 -16.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
3001 13.7550 6.3960 -17.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
3002 4.6030 8.8800 -21.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
3003 4.5890 8.4850 -19.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
3004 3.4680 7.8730 -19.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
3005 2.3610 7.6540 -20.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
3006 2.3720 8.0460 -21.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
3007 3.4890 8.6640 -22.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
3079 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
3085 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
3088 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
3107 9.1020 12.5880 -20.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
3109 6.7390 11.8250 -21.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
3110 5.9500 10.6360 -20.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
3111 7.0620 9.5840 -20.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
3112 8.1650 10.4650 -19.7290 C 0 0 1 0 0 0 0 0 0 0 0 0
3113 9.5150 9.8140 -19.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
3114 8.8780 13.8250 -21.5300 C 0 0 1 0 0 0 0 0 0 0 0 0
3117 9.8360 13.8200 -22.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
3118 8.3940 17.1360 -19.6700 C 0 0 2 0 0 0 0 0 0 0 0 0
3119 8.1400 15.9130 -20.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
3121 9.5780 12.5780 -23.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
3122 9.6090 15.0770 -23.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
3123 8.0580 16.8280 -18.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
3127 11.3130 8.3930 -19.0600 C 0 0 1 0 0 0 0 0 0 0 0 0
3128 11.9270 8.1720 -17.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
3129 11.1540 7.0690 -19.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
3130 12.7170 9.1530 -17.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
3131 13.2780 8.9500 -15.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
3132 13.0490 7.7670 -15.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
3133 12.2580 6.7870 -15.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
3134 11.6930 6.9910 -17.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
3137 9.7750 5.3610 -20.8190 C 0 0 1 0 0 0 0 0 0 0 0 0
3138 8.4040 4.7700 -20.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
3139 9.8860 5.5640 -22.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
3140 8.2930 4.5670 -18.9960 C 0 0 0 0 0 0 0 0 0 0 0 0
3141 7.7940 5.5790 -18.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
3142 7.6910 5.3960 -16.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
3143 8.0890 4.1940 -16.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
3144 8.5890 3.1800 -17.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
3145 8.6840 3.3670 -18.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
3234 C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O)N
3240 [H][C@@](Cc1ccc(O)cc1)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(C)N)…
3243 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1
3262 8.8680 12.5560 -20.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
3264 6.9390 11.2260 -21.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
3265 6.4120 9.8280 -21.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
3266 7.7150 9.1000 -20.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
3267 8.3720 10.1850 -19.8180 C 0 0 1 0 0 0 0 0 0 0 0 0
3268 9.8510 9.9320 -19.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
3269 8.4890 13.7560 -21.3290 C 0 0 1 0 0 0 0 0 0 0 0 0
3272 9.1900 13.6790 -22.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
3273 8.4050 17.1580 -19.5760 C 0 0 2 0 0 0 0 0 0 0 0 0
3274 7.9810 15.9000 -20.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
3276 8.4590 14.5730 -23.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
3277 10.6370 14.1530 -22.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
3278 8.3650 16.9240 -18.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
3282 11.7270 8.5620 -18.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
3283 12.0840 8.4450 -17.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
3284 12.1170 7.3400 -16.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
3285 12.4780 7.4710 -15.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
3286 12.7880 8.7000 -14.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
3346 C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2cccs2)N
3352 [H][C@@](NC(=O)[C@@]([H])(C)N)(C(=O)N1CCC[C@]1([H])C(=O)NCc1cccs1)C(C)C
3355 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1
3374 9.3380 12.9120 -20.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
3376 7.1530 11.7020 -21.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
3377 6.6290 10.3630 -20.5800 C 0 0 2 0 0 0 0 0 0 0 0 0
3378 7.9330 9.5850 -20.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
3379 8.8690 10.7230 -19.7910 C 0 0 1 0 0 0 0 0 0 0 0 0
3380 10.3110 10.3330 -19.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
3382 8.8540 14.0270 -21.8190 C 0 0 1 0 0 0 0 0 0 0 0 0
3385 9.7590 14.1250 -23.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
3386 7.7980 17.3000 -20.1390 C 0 0 1 0 0 0 0 0 0 0 0 0
3387 7.7590 15.9980 -20.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
3389 9.2680 15.2560 -23.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
3390 9.7200 12.8020 -23.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
3391 8.3150 17.0500 -18.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
3393 10.1720 15.3540 -25.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
3394 10.1340 14.0320 -25.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
3395 10.6250 12.9010 -25.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
3396 8.1960 18.4800 -22.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
3399 12.2200 8.8910 -19.5300 C 0 0 2 0 0 0 0 0 0 0 0 0
3400 12.3260 7.9540 -20.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
3401 13.7540 7.3980 -20.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
3402 13.9430 6.4380 -19.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
3403 13.5230 7.0890 -18.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
3404 12.7290 8.2140 -18.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
3405 12.3720 8.7620 -17.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
3406 12.8100 8.1920 -15.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
3407 13.6110 7.0650 -15.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
3408 13.9640 6.5190 -17.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
3409 4.8510 8.8730 -21.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
3410 4.9660 8.2520 -19.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
3411 3.9480 7.4400 -19.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
3412 2.8160 7.2450 -20.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
3413 2.6990 7.8630 -21.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
3414 3.7110 8.6810 -21.8730 C 0 0 0 0 0 0 0 0 0 0 0 0
3489 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
3495 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
3498 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
3517 8.7350 12.7650 -20.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
3519 6.7790 11.4230 -21.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
3520 6.2520 10.0130 -21.0170 C 0 0 2 0 0 0 0 0 0 0 0 0
3521 7.5020 9.3070 -20.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
3522 8.1970 10.4690 -19.6820 C 0 0 1 0 0 0 0 0 0 0 0 0
3523 9.6720 10.1970 -19.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
3525 8.3870 13.9070 -21.4650 C 0 0 1 0 0 0 0 0 0 0 0 0
3528 9.0910 13.7110 -22.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
3529 8.4370 17.1560 -19.4420 C 0 0 2 0 0 0 0 0 0 0 0 0
3530 7.9880 15.8580 -20.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
3532 10.6050 13.6760 -22.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
3533 11.3080 13.4810 -23.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
3534 10.9540 14.6400 -24.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
3535 9.4400 14.6760 -25.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
3536 8.7360 14.8700 -23.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
3537 8.3870 17.0390 -17.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
3539 7.5950 18.3520 -21.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
3542 11.5310 8.8610 -18.7070 C 0 0 1 0 0 0 0 0 0 0 0 0
3543 12.0710 9.6190 -17.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
3544 13.5110 9.1610 -17.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
3545 13.4770 7.7220 -16.7300 C 0 0 0 0 0 0 0 0 0 0 0 0
3546 12.6470 6.8570 -17.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
3547 11.7500 7.3790 -18.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
3548 11.0100 6.5250 -19.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
3549 11.1690 5.1580 -19.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
3550 12.0710 4.6330 -18.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
3551 12.8060 5.4800 -17.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
3552 4.7890 8.4460 -22.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
3553 4.6560 7.7440 -20.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
3554 3.6310 6.8300 -20.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
3555 2.7380 6.6150 -21.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
3556 2.8690 7.3130 -22.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
3557 3.8880 8.2330 -23.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
3632 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
3638 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
3641 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
3660 8.8300 12.6450 -20.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
3662 6.9090 11.2640 -21.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
3663 6.4150 9.8380 -21.1030 C 0 0 2 0 0 0 0 0 0 0 0 0
3664 7.6790 9.1580 -20.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
3665 8.3400 10.3310 -19.7540 C 0 0 1 0 0 0 0 0 0 0 0 0
3666 9.8220 10.0930 -19.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
3668 8.4590 13.7850 -21.5070 C 0 0 1 0 0 0 0 0 0 0 0 0
3671 9.1740 13.6180 -22.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
3672 8.4200 17.0200 -19.4590 C 0 0 2 0 0 0 0 0 0 0 0 0
3673 8.0050 15.7150 -20.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
3675 10.6870 13.6170 -22.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
3676 11.4030 13.4510 -23.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
3677 11.0260 14.6080 -24.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
3678 9.5130 14.6090 -25.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
3679 8.7980 14.7760 -23.7760 C 0 0 0 0 0 0 0 0 0 0 0 0
3680 8.3640 16.8890 -17.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
3682 7.5600 18.2110 -21.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
3685 11.9180 9.1180 -20.3770 C 0 0 1 0 0 0 0 0 0 0 0 0
3686 12.1430 7.8960 -19.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
3687 11.6660 6.6640 -20.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
3688 12.6540 6.4290 -21.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
3689 12.8630 7.6780 -22.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
3690 12.5240 8.9260 -21.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
3691 12.7390 10.0470 -22.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
3692 13.2890 9.9220 -23.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
3693 13.6270 8.6700 -24.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
3694 13.4140 7.5530 -23.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
3695 4.6870 8.7620 -22.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
3696 4.0330 8.4100 -21.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
3697 2.7150 7.9960 -21.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
3698 2.0510 7.9290 -22.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
3699 2.7000 8.2780 -23.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
3700 4.0150 8.7000 -23.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
3775 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
3781 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
3784 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
3803 9.0760 12.8260 -20.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
3805 7.2450 11.3450 -21.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
3806 6.5390 10.1750 -20.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
3807 7.2810 9.9020 -19.6590 C 0 0 2 0 0 0 0 0 0 0 0 0
3808 8.6650 10.4920 -19.9320 C 0 0 1 0 0 0 0 0 0 0 0 0
3809 9.4370 9.4480 -20.7100 C 0 0 2 0 0 0 0 0 0 0 0 0
3810 8.4960 8.2620 -20.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
3811 7.5680 8.3810 -19.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
3813 8.6660 13.9490 -21.6710 C 0 0 1 0 0 0 0 0 0 0 0 0
3816 9.4070 13.8140 -23.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
3817 8.4510 17.1770 -19.6250 C 0 0 2 0 0 0 0 0 0 0 0 0
3818 8.1050 15.8550 -20.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
3820 10.9140 13.8830 -22.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
3821 9.0560 12.4730 -23.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
3822 8.9890 14.9540 -23.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
3823 8.3800 17.0440 -18.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
3825 7.5630 18.3280 -21.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
3826 11.7210 8.6020 -20.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
3829 14.0040 7.7520 -20.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
3830 12.8230 8.2920 -18.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
3831 13.0310 7.1410 -17.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
3832 13.0360 7.2090 -16.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
3833 12.8330 8.4200 -15.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
3834 12.6240 9.5670 -16.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
3835 12.6240 9.5070 -17.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
3904 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)N(C)c3ccccc3)C(C)(C)C)NC
3910 [H][C@]1(NC(=O)N(C)c2ccccc2)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@]12[H]
3913 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)[C@H]21)C(C)(C)C
3932 8.9690 12.8600 -21.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
3934 7.0980 11.5250 -22.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
3935 6.2710 10.4030 -21.4370 C 0 0 0 0 0 0 0 0 0 0 0 0
3936 7.3780 9.4810 -20.8690 C 0 0 2 0 0 0 0 0 0 0 0 0
3937 8.5100 10.4740 -20.4900 C 0 0 1 0 0 0 0 0 0 0 0 0
3938 9.8250 9.8500 -20.9880 C 0 0 2 0 0 0 0 0 0 0 0 0
3939 9.4590 8.4980 -21.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
3940 7.9630 8.6460 -22.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
3942 8.5960 14.0720 -21.9180 C 0 0 1 0 0 0 0 0 0 0 0 0
3945 9.3480 14.0410 -23.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
3946 8.4380 17.1040 -19.5880 C 0 0 2 0 0 0 0 0 0 0 0 0
3947 8.0670 15.8550 -20.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
3949 10.8550 14.0480 -22.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
3950 8.9710 12.7720 -24.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
3951 8.9690 15.2700 -24.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
3952 8.3480 16.8340 -18.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
3954 7.5990 18.4460 -21.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
3955 10.3610 8.8590 -18.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
3957 11.2790 8.6460 -17.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
3958 12.1860 9.6290 -17.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
3959 13.0540 9.4340 -16.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
3960 13.0380 8.2770 -15.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
3961 12.1340 7.2530 -15.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
3962 11.2380 7.4350 -16.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
3963 10.3350 6.4150 -17.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
3964 10.3240 5.2640 -16.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
3965 11.2000 5.0850 -15.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
3966 12.0990 6.0500 -15.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
4038 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC
4044 [H][C@]1(NC(=O)c2cccc3ccccc23)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@]12…
4047 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc4ccccc34)[C@H]21)C(C)(C)C
4066 9.5020 9.5740 -20.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
4067 8.1780 10.1830 -19.8680 C 0 0 2 0 0 0 0 0 0 0 0 0
4068 7.0310 9.2180 -20.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
4069 5.9220 10.1750 -20.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
4070 6.7570 11.2670 -21.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
4072 8.7410 12.5270 -20.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
4073 11.4690 8.2320 -19.7290 C 0 0 1 0 0 0 0 0 0 0 0 0
4076 12.3500 8.1070 -18.4840 C 0 0 2 0 0 0 0 0 0 0 0 0
4077 11.2410 6.8660 -20.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
4078 11.6540 7.2140 -17.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
4079 12.5810 9.4940 -17.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
4082 9.7660 5.0530 -21.0140 C 0 0 1 0 0 0 0 0 0 0 0 0
4083 12.5350 7.0880 -16.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
4084 8.5110 4.4320 -20.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
4085 9.5860 5.1770 -22.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
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4196 [H][C@@](C)(N)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@]([H])(C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(…
4199 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
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4334 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
4337 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
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4454 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
4460 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
4463 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
4482 8.9300 12.7350 -20.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
4484 7.0120 11.4830 -21.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
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4496 8.6030 17.0360 -19.5360 C 0 0 2 0 0 0 0 0 0 0 0 0
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4586 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3ccc4c(c3)cco4)C(C)(C)C)NC
4592 [H][C@]1(NC(=O)c2ccc3occc3c2)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@]12[…
4595 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4occc4c3)[C@H]21)C(C)(C)C
4614 9.1380 12.7620 -21.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
4616 6.8070 11.8510 -20.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
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4717 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)N(C)c3ccc(cc3)F)C(C)(C)C)NC
4723 [H][C@]1(NC(=O)N(C)c2ccc(F)cc2)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@]1…
4726 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@H]21)C(C)(C)C
4745 9.0870 12.8240 -20.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
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4762 10.9130 14.9770 -25.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
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4860 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
4866 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
4869 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
4888 9.1390 12.7860 -20.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
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4905 10.9580 13.9280 -22.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
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4910 7.5520 18.2880 -21.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
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4913 13.0730 8.1680 -20.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
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4920 13.4010 6.7380 -20.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
4921 14.7130 6.3050 -20.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
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4924 12.6910 4.5480 -21.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
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5006 [H][C@]1(NC(=O)C(c2ccccc2)c2ccccc2)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C…
5009 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@H]21)C(C)(C)C
5028 8.8930 12.8300 -20.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
5030 6.9310 11.3610 -21.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
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5043 10.4890 13.7720 -22.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
5044 11.0570 13.5730 -24.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
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5047 8.4510 14.8400 -23.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
5048 8.6030 17.1570 -18.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
5050 7.3910 18.3310 -21.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
5053 11.4740 9.1140 -21.7830 C 0 0 1 0 0 0 0 0 0 0 0 0
5054 11.5510 7.6190 -21.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
5055 10.6150 6.8960 -22.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
5056 11.2430 6.9800 -23.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
5057 11.5980 8.3990 -24.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
5058 11.7070 9.3880 -23.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
5059 12.0390 10.6800 -23.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
5060 12.2610 10.9800 -24.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
5061 12.1490 9.9900 -25.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
5062 11.8190 8.7040 -25.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
5063 5.0570 8.2960 -20.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
5064 4.1180 8.0400 -19.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
5065 3.9040 6.7440 -19.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
5066 4.6270 5.7040 -19.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
5067 5.5650 5.9570 -20.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
5068 5.7770 7.2490 -21.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
5143 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
5149 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
5152 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
5171 8.9940 12.6270 -20.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
5173 6.9090 11.5840 -21.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
5174 6.5260 10.0830 -21.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
5175 6.7690 9.6690 -20.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
5176 8.0000 10.5110 -19.8320 C 0 0 1 0 0 0 0 0 0 0 0 0
5177 9.2540 9.6870 -19.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
5178 8.9230 13.7540 -21.7350 C 0 0 1 0 0 0 0 0 0 0 0 0
5181 10.1900 13.7540 -22.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
5182 7.6380 17.1380 -20.4860 C 0 0 1 0 0 0 0 0 0 0 0 0
5183 7.7470 15.8250 -21.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
5185 10.1190 14.9000 -23.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
5186 11.3840 14.8980 -24.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
5187 11.4940 13.5660 -25.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
5188 11.5660 12.4220 -24.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
5189 10.3000 12.4220 -23.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
5190 7.6350 16.8810 -18.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
5192 8.7840 18.2370 -22.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
5195 10.9360 8.1770 -19.0630 C 0 0 2 0 0 0 0 0 0 0 0 0
5196 10.5680 6.7950 -19.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
5197 9.7900 6.0620 -18.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
5198 10.7750 5.7270 -17.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
5199 11.5400 6.9470 -16.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
5200 11.6170 8.0810 -17.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
5201 12.3380 9.1780 -17.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
5202 12.9780 9.1410 -16.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
5203 12.9000 8.0030 -15.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
5204 12.1830 6.9110 -15.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
5269 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
5275 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
5278 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
5297 8.8510 12.6560 -20.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
5299 6.7960 11.3030 -21.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
5300 6.3840 9.8800 -20.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
5301 7.7510 9.1780 -20.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
5302 8.5680 10.2550 -19.8950 C 0 0 1 0 0 0 0 0 0 0 0 0
5303 10.0440 10.0360 -20.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
5304 8.2720 13.8700 -21.2690 C 0 0 1 0 0 0 0 0 0 0 0 0
5307 8.6510 13.8520 -22.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
5308 8.5190 17.2150 -19.4240 C 0 0 2 0 0 0 0 0 0 0 0 0
5309 7.9690 15.9680 -20.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
5311 9.4610 15.1050 -23.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
5312 9.4910 12.6070 -23.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
5313 7.3790 13.8240 -23.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
5314 8.1400 17.2330 -17.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
5316 8.3190 18.3810 -21.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
5319 12.1850 9.0940 -19.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
5320 12.4160 7.8500 -20.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
5321 12.0330 7.5000 -21.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
5322 12.3890 6.2660 -22.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
5323 13.1310 5.3830 -21.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
5324 13.5170 5.7240 -19.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
5325 13.1610 6.9670 -19.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
5326 13.4380 7.5830 -18.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
5327 12.8650 8.8520 -18.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
5328 12.9870 9.6260 -16.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
5329 13.6800 9.1460 -15.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
5330 14.2530 7.8870 -15.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
5331 14.1360 7.1060 -17.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
5399 C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC2c3ccccc3-c4c2cccc4)C(C)(C)C)NC
5405 [H][C@](C)(NC)C(=O)N[C@@]([H])(C(=O)N1CCC[C@]1([H])C(=O)NC1c2ccccc2-c2ccccc21)C(C)(C)C
5408 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2-c2ccccc21)C(C)(C)C
5427 8.7060 12.8010 -20.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
5429 6.5080 11.6350 -20.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
5430 6.0360 10.2220 -20.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
5431 7.3390 9.4220 -20.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
5432 8.3220 10.3830 -19.8690 C 0 0 1 0 0 0 0 0 0 0 0 0
5433 9.7400 10.0770 -20.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
5434 8.4540 13.8350 -21.5100 C 0 0 1 0 0 0 0 0 0 0 0 0
5437 9.2540 13.4780 -22.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
5438 8.4070 17.5090 -20.4360 C 0 0 1 0 0 0 0 0 0 0 0 0
5439 7.9770 16.1540 -20.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
5441 10.7470 13.4450 -22.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
5442 11.5460 13.0880 -23.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
5443 11.2910 14.1370 -24.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
5444 9.7980 14.1690 -25.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
5445 8.9990 14.5270 -23.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
5446 8.1520 18.5580 -21.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
5448 7.8850 16.8450 -18.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
5451 11.8670 8.9400 -19.9210 C 0 0 2 0 0 0 0 0 0 0 0 0
5452 11.8700 7.7640 -20.8950 C 0 0 0 0 0 0 0 0 0 0 0 0
5453 13.3230 7.3290 -21.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
5454 13.8390 6.6830 -19.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
5455 13.5820 7.5790 -18.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
5456 12.6740 8.6130 -18.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
5457 12.4790 9.3980 -17.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
5458 13.1910 9.1510 -16.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
5459 14.1060 8.1160 -16.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
5460 14.2990 7.3350 -17.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
5525 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
5531 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
5534 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
5553 8.6010 12.9590 -20.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
5555 6.7560 11.5200 -21.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
5556 6.7450 9.9810 -21.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
5557 7.2060 9.5080 -20.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
5558 8.2280 10.5900 -19.8790 C 0 0 1 0 0 0 0 0 0 0 0 0
5559 9.6270 10.1190 -20.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
5560 8.1770 14.1190 -21.4740 C 0 0 1 0 0 0 0 0 0 0 0 0
5563 8.9060 14.0500 -22.8170 C 0 0 0 0 0 0 0 0 0 0 0 0
5564 7.8800 17.5500 -19.8000 C 0 0 1 0 0 0 0 0 0 0 0 0
5565 7.5360 16.2560 -20.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
5567 10.3240 14.6030 -22.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
5568 11.0540 14.5340 -23.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
5569 10.2950 15.3670 -25.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
5570 8.8780 14.8130 -25.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
5571 8.1480 14.8820 -23.8520 C 0 0 0 0 0 0 0 0 0 0 0 0
5572 8.5440 17.2470 -18.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
5574 8.1660 18.6140 -21.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
5577 11.6940 8.9980 -19.5490 C 0 0 2 0 0 0 0 0 0 0 0 0
5578 11.6290 7.6180 -20.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
5579 13.0560 7.0650 -20.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
5580 13.5480 6.7340 -18.8950 C 0 0 0 0 0 0 0 0 0 0 0 0
5581 13.3460 7.9090 -17.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
5582 12.4910 8.9470 -18.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
5583 12.3460 9.9970 -17.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
5584 13.0520 10.0100 -16.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
5585 13.9140 8.9710 -15.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
5586 14.0580 7.9250 -16.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
5651 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
5657 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
5660 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
5679 8.3370 13.5870 -21.9290 C 0 0 2 0 0 0 0 0 0 0 0 0
5680 8.9970 13.2940 -23.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
5681 10.4500 13.7730 -23.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
5682 11.1100 13.4800 -24.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
5683 10.3520 14.2130 -25.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
5684 8.8990 13.7340 -25.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
5685 8.2390 14.0260 -24.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
5687 8.7350 12.5270 -20.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
5688 8.3150 17.2220 -20.7270 C 0 0 1 0 0 0 0 0 0 0 0 0
5689 7.8660 15.8710 -21.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
5693 7.9100 18.2970 -21.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
5695 6.7700 11.0880 -21.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
5696 6.0060 10.1260 -20.6270 C 0 0 2 0 0 0 0 0 0 0 0 0
5697 7.1780 9.2470 -20.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
5698 8.2520 10.3030 -19.8810 C 0 0 1 0 0 0 0 0 0 0 0 0
5699 9.6210 9.7290 -20.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
5701 8.0690 16.4700 -18.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
5704 11.6390 8.5880 -19.3880 C 0 0 2 0 0 0 0 0 0 0 0 0
5705 4.7530 8.1210 -20.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
5706 11.4980 7.1450 -19.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
5707 12.8940 6.5130 -19.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
5708 13.3870 6.3280 -18.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
5709 13.2550 7.6110 -17.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
5710 12.4490 8.6480 -18.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
5711 12.3690 9.8050 -17.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
5712 13.0900 9.9220 -16.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
5713 13.9020 8.8830 -15.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
5714 13.9830 7.7340 -16.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
5715 4.2470 7.9670 -19.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
5716 3.9600 6.7040 -19.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
5717 4.1760 5.5950 -19.9050 C 0 0 0 0 0 0 0 0 0 0 0 0
5718 4.6790 5.7460 -21.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
5719 4.9630 7.0070 -21.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
5794 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
5800 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
5803 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
5822 9.1550 12.8090 -20.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
5824 7.3100 11.2920 -21.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
5825 6.6130 10.1930 -20.7630 C 0 0 2 0 0 0 0 0 0 0 0 0
5826 7.8420 9.3630 -20.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
5827 8.8310 10.4650 -19.9680 C 0 0 1 0 0 0 0 0 0 0 0 0
5828 10.2430 10.0220 -20.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
5830 8.6870 13.9240 -21.7010 C 0 0 1 0 0 0 0 0 0 0 0 0
5833 9.3800 13.8080 -23.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
5834 8.4810 17.1420 -19.6400 C 0 0 2 0 0 0 0 0 0 0 0 0
5835 8.1390 15.8160 -20.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
5837 10.8940 13.9080 -22.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
5838 9.0340 12.4600 -23.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
5839 8.9040 14.9400 -23.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
5840 8.4710 17.0050 -18.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
5842 7.4970 18.2780 -21.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
5845 11.9690 9.2430 -21.7890 C 0 0 1 0 0 0 0 0 0 0 0 0
5846 12.0820 7.7410 -21.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
5847 11.2640 7.0270 -22.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
5848 12.0030 7.1950 -23.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
5849 12.3280 8.6420 -24.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
5850 12.3130 9.5910 -23.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
5851 12.6230 10.9090 -23.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
5852 12.9430 11.2770 -24.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
5853 12.9550 10.3260 -25.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
5854 12.6480 9.0120 -25.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
5855 5.0310 8.4270 -20.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
5856 4.1910 8.7120 -19.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
5857 3.5020 7.6910 -19.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
5858 3.6510 6.3860 -19.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
5859 4.4880 6.1010 -20.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
5860 5.1730 7.1180 -21.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
5932 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
5938 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
5941 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
5960 9.1990 12.7970 -21.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
5962 6.8760 11.8660 -20.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
5963 6.5180 10.3700 -20.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
5964 7.3260 9.9870 -19.4940 C 0 0 2 0 0 0 0 0 0 0 0 0
5965 8.6630 10.6950 -19.7860 C 0 0 1 0 0 0 0 0 0 0 0 0
5966 9.4700 9.7210 -20.6550 C 0 0 2 0 0 0 0 0 0 0 0 0
5967 8.5610 8.5040 -20.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
5968 7.6850 8.4970 -19.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
5970 8.7030 13.9570 -21.8800 C 0 0 1 0 0 0 0 0 0 0 0 0
5973 9.3700 13.9280 -23.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
5974 8.5050 17.0490 -19.6300 C 0 0 2 0 0 0 0 0 0 0 0 0
5975 8.1650 15.7560 -20.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
5977 10.8870 14.0330 -23.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
5978 9.0250 12.6150 -23.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
5979 8.8670 15.1050 -24.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
5980 8.5260 16.8220 -18.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
5982 7.4760 18.2800 -21.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
5983 11.7870 8.9660 -20.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
5986 14.1020 8.2150 -20.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
5987 12.9450 8.5730 -18.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
5988 13.2160 7.3870 -17.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
5989 13.2480 7.3680 -16.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
5990 13.0100 8.5270 -15.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
5991 12.7390 9.7100 -16.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
5992 12.7120 9.7360 -17.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
6061 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)N(C)c3ccccc3)C(C)(C)C)NC
6067 [H][C@]1(NC(=O)N(C)c2ccccc2)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@]12[H]
6070 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)[C@H]21)C(C)(C)C
6089 8.7460 12.4910 -20.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
6091 6.5630 11.2980 -20.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
6092 6.0940 9.8600 -20.5630 C 0 0 2 0 0 0 0 0 0 0 0 0
6093 7.4250 9.0650 -20.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
6094 8.3820 10.1030 -19.8750 C 0 0 1 0 0 0 0 0 0 0 0 0
6095 9.8100 9.7990 -20.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
6097 8.5120 13.4680 -21.6830 C 0 0 1 0 0 0 0 0 0 0 0 0
6100 9.3450 13.0580 -22.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
6101 8.4010 17.1900 -20.7920 C 0 0 1 0 0 0 0 0 0 0 0 0
6102 7.9960 15.8070 -21.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
6104 10.8290 13.0590 -22.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
6105 8.9340 11.6550 -23.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
6106 9.1060 14.0490 -24.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
6107 8.1620 18.1810 -21.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
6109 7.8300 16.6310 -18.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
6112 11.9550 8.7270 -19.8180 C 0 0 2 0 0 0 0 0 0 0 0 0
6113 11.9850 7.4910 -20.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
6114 13.4480 7.0710 -20.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
6115 13.9690 6.5180 -19.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
6116 13.6880 7.4830 -18.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
6117 12.7610 8.4950 -18.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
6118 12.5450 9.3470 -17.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
6119 13.2550 9.1890 -16.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
6120 14.1890 8.1760 -16.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
6121 14.4030 7.3270 -17.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
6122 4.2980 8.4680 -21.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
6123 4.5090 7.6080 -20.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
6124 3.5360 6.6930 -19.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
6125 2.3510 6.6340 -20.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
6126 2.1390 7.4900 -21.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
6127 3.1060 8.4110 -21.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
6199 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
6205 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
6208 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
6227 8.4140 13.7680 -21.9440 C 0 0 2 0 0 0 0 0 0 0 0 0
6228 9.2050 13.4200 -23.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
6229 10.6550 13.8800 -23.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
6230 11.4450 13.5310 -24.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
6231 10.8190 14.2360 -25.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
6232 9.3690 13.7760 -25.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
6233 8.5780 14.1240 -24.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
6235 8.6890 12.7380 -20.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
6236 8.3310 17.4420 -20.8700 C 0 0 1 0 0 0 0 0 0 0 0 0
6237 7.9120 16.0810 -21.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
6241 8.0520 18.4870 -21.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
6243 6.7740 11.3060 -21.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
6244 5.9010 10.3870 -20.7770 C 0 0 2 0 0 0 0 0 0 0 0 0
6245 7.0020 9.5090 -20.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
6246 8.0610 10.5580 -19.8090 C 0 0 1 0 0 0 0 0 0 0 0 0
6247 9.4390 9.9570 -19.9050 C 0 0 0 0 0 0 0 0 0 0 0 0
6249 7.8400 16.7720 -18.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
6252 11.3480 8.8140 -18.9100 C 0 0 2 0 0 0 0 0 0 0 0 0
6253 4.6450 8.3920 -21.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
6254 11.2290 7.3620 -19.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
6255 10.5810 6.5690 -18.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
6256 11.5990 6.4750 -17.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
6257 12.1400 7.8330 -16.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
6258 12.0260 8.9170 -17.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
6259 12.5430 10.1460 -17.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
6260 13.1690 10.2890 -15.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
6261 13.2820 9.2020 -15.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
6262 12.7680 7.9790 -15.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
6263 4.0070 8.2890 -19.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
6264 3.6500 7.0470 -19.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
6265 3.9280 5.9090 -20.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
6266 4.5630 6.0090 -21.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
6267 4.9180 7.2480 -21.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
6342 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
6348 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
6351 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
6370 8.3480 13.9010 -21.7990 C 0 0 2 0 0 0 0 0 0 0 0 0
6371 8.9900 13.6450 -23.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
6372 10.4490 14.1060 -23.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
6373 11.0910 13.8510 -24.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
6374 10.3310 14.6300 -25.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
6375 8.8730 14.1690 -25.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
6376 8.2300 14.4240 -24.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
6378 8.7450 12.8040 -20.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
6379 8.3820 17.4930 -20.4750 C 0 0 1 0 0 0 0 0 0 0 0 0
6380 7.9130 16.1650 -21.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
6384 7.9800 18.6060 -21.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
6386 6.7560 11.4080 -21.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
6387 6.0010 10.4390 -20.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
6388 7.1710 9.5160 -20.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
6389 8.2430 10.5520 -19.8640 C 0 0 1 0 0 0 0 0 0 0 0 0
6390 9.6160 9.9880 -20.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
6391 8.1520 16.6690 -18.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
6394 11.6230 8.8140 -19.4050 C 0 0 2 0 0 0 0 0 0 0 0 0
6395 11.4870 7.3920 -19.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
6396 12.8830 6.7610 -20.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
6397 13.3590 6.5150 -18.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
6398 13.2200 7.7650 -17.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
6399 12.4190 8.8190 -18.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
6400 12.3300 9.9420 -17.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
6401 13.0390 10.0100 -16.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
6402 13.8450 8.9520 -15.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
6403 13.9340 7.8370 -16.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
6468 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
6474 [H][C@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
6477 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
6496 8.6620 12.9260 -20.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
6498 6.8290 11.4640 -21.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
6499 6.1170 10.3360 -20.9980 C 0 0 0 0 0 0 0 0 0 0 0 0
6500 7.3430 9.4720 -20.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
6501 8.3080 10.5410 -20.1660 C 0 0 1 0 0 0 0 0 0 0 0 0
6502 9.7340 10.1220 -20.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
6503 8.2190 14.0920 -21.7010 C 0 0 1 0 0 0 0 0 0 0 0 0
6506 8.9410 14.0510 -23.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
6507 7.8910 17.4950 -19.9770 C 0 0 1 0 0 0 0 0 0 0 0 0
6508 7.5590 16.2070 -20.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
6510 10.4520 14.1320 -22.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
6511 8.4910 15.2350 -23.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
6512 8.5660 17.1820 -18.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
6514 10.7240 15.2750 -25.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
6515 9.2120 15.1940 -25.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
6516 11.1750 14.0900 -24.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
6517 8.1520 18.5920 -22.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
6520 11.7980 9.0310 -19.7250 C 0 0 2 0 0 0 0 0 0 0 0 0
6521 11.8070 7.6770 -20.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
6522 13.2520 7.1690 -20.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
6523 13.6830 6.7930 -19.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
6524 13.4020 7.9220 -18.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
6525 12.5330 8.9490 -18.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
6526 12.3120 9.9570 -17.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
6527 12.9590 9.9400 -16.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
6528 13.8330 8.9130 -15.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
6529 14.0520 7.9090 -16.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
6594 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
6600 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
6603 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
6622 9.0980 12.7970 -20.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
6624 7.2150 11.2920 -21.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
6625 6.5460 10.1920 -20.6950 C 0 0 2 0 0 0 0 0 0 0 0 0
6626 7.7870 9.3550 -20.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
6627 8.7960 10.4510 -19.9860 C 0 0 1 0 0 0 0 0 0 0 0 0
6628 10.1930 10.0020 -20.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
6630 8.6000 13.9170 -21.6980 C 0 0 1 0 0 0 0 0 0 0 0 0
6633 9.2380 13.8050 -23.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
6634 8.4910 17.1280 -19.6160 C 0 0 2 0 0 0 0 0 0 0 0 0
6635 8.1180 15.8050 -20.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
6637 10.7590 13.8960 -22.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
6638 8.8590 12.4610 -23.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
6639 8.7320 14.9430 -23.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
6640 8.5400 16.9840 -18.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
6642 7.4400 18.2760 -21.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
6645 11.8530 9.2220 -21.9360 C 0 0 1 0 0 0 0 0 0 0 0 0
6646 11.9690 7.7170 -21.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
6647 13.3160 7.2450 -22.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
6648 13.2630 7.3360 -23.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
6649 12.7940 8.6990 -24.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
6650 12.1440 9.5650 -23.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
6651 11.7310 10.8070 -23.8390 C 0 0 0 0 0 0 0 0 0 0 0 0
6652 11.9710 11.1810 -25.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
6653 12.6280 10.3140 -25.9980 C 0 0 0 0 0 0 0 0 0 0 0 0
6654 13.0370 9.0800 -25.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
6655 4.9500 8.4350 -20.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
6656 4.1540 8.7180 -19.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
6657 3.4850 7.6980 -19.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
6658 3.6110 6.3950 -19.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
6659 4.4030 6.1110 -20.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
6660 5.0680 7.1270 -21.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
6732 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
6738 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
6741 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
6760 9.1890 12.8490 -21.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
6762 7.0100 11.6210 -21.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
6763 6.4910 10.2990 -20.6260 C 0 0 2 0 0 0 0 0 0 0 0 0
6764 7.7990 9.5390 -20.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
6765 8.7270 10.6970 -19.8450 C 0 0 1 0 0 0 0 0 0 0 0 0
6766 10.1720 10.3080 -20.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
6768 8.7020 13.9310 -21.9820 C 0 0 1 0 0 0 0 0 0 0 0 0
6771 9.6100 13.9930 -23.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
6772 7.6240 17.2540 -20.4140 C 0 0 1 0 0 0 0 0 0 0 0 0
6773 7.5940 15.9260 -21.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
6775 11.0420 14.3040 -22.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
6776 9.5790 12.6460 -23.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
6777 9.1150 15.0920 -24.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
6778 8.1390 17.0530 -18.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
6780 8.0210 18.3680 -22.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
6783 12.0880 8.8920 -19.5150 C 0 0 2 0 0 0 0 0 0 0 0 0
6784 12.2000 7.9260 -20.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
6785 11.5320 6.6100 -20.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
6786 12.4240 5.9520 -19.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
6787 12.7490 6.9050 -18.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
6788 12.5950 8.2680 -18.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
6789 12.9110 9.1040 -17.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
6790 13.3780 8.5790 -15.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
6791 13.5310 7.2120 -15.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
6792 13.2180 6.3790 -16.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
6793 4.7230 8.7840 -21.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
6794 4.8390 8.2050 -19.8520 C 0 0 0 0 0 0 0 0 0 0 0 0
6795 3.8240 7.4030 -19.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
6796 2.6940 7.1770 -20.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
6797 2.5770 7.7530 -21.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
6798 3.5870 8.5600 -21.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
6870 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
6876 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
6879 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
6898 9.8100 9.9290 -20.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
6899 8.4290 10.5050 -19.8590 C 0 0 2 0 0 0 0 0 0 0 0 0
6900 7.3700 9.5850 -20.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
6901 6.2060 10.5830 -20.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
6902 6.9170 11.7940 -21.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
6904 9.2420 12.6810 -20.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
6905 11.6830 8.5920 -19.2240 C 0 0 1 0 0 0 0 0 0 0 0 0
6908 12.3400 8.4300 -17.8520 C 0 0 2 0 0 0 0 0 0 0 0 0
6909 11.5870 7.2470 -19.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
6910 12.4390 9.7960 -17.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
6911 13.7430 7.8440 -18.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
6914 10.2880 5.4440 -20.8980 C 0 0 1 0 0 0 0 0 0 0 0 0
6915 13.0950 9.6330 -15.7970 C 0 0 0 0 0 0 0 0 0 0 0 0
6916 8.9580 4.7850 -20.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
6917 10.3620 5.6240 -22.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
6918 8.8840 4.6050 -19.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
6919 8.3420 5.6030 -18.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
6920 8.2720 5.4410 -16.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
6921 8.7460 4.2760 -16.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
6922 9.2890 3.2760 -17.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
6923 9.3510 3.4400 -18.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
6928 8.9430 13.9100 -21.6420 C 0 0 2 0 0 0 0 0 0 0 0 0
6929 9.8860 13.9640 -22.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
6931 9.3700 13.0290 -23.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
6932 9.9440 15.3960 -23.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
6933 8.1050 15.9480 -20.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
6935 8.3030 17.1780 -19.7530 C 0 0 2 0 0 0 0 0 0 0 0 0
6936 8.0010 16.8420 -18.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
7022 CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N
7028 [H][C@@](C)(N)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@]([H])(C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(…
7031 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
7051 8.4890 13.8730 -21.4150 C 0 0 1 0 0 0 0 0 0 0 0 0
7052 9.2570 13.7200 -22.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
7053 8.9390 12.6030 -23.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
7054 9.5000 12.6670 -24.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
7055 9.2180 11.7010 -25.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
7056 8.3650 10.6580 -25.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
7057 7.8200 10.5810 -24.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
7058 8.1260 11.5400 -23.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
7059 7.6010 11.3550 -21.9530 C 0 0 1 0 0 0 0 0 0 0 0 0
7060 6.5550 10.2670 -21.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
7061 6.9820 9.0560 -21.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
7062 7.4980 9.4030 -19.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
7063 8.6000 10.4390 -19.7830 C 0 0 2 0 0 0 0 0 0 0 0 0
7065 8.6780 12.7970 -20.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
7067 9.8850 9.7850 -20.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
7068 8.3700 17.1770 -19.4850 C 0 0 2 0 0 0 0 0 0 0 0 0
7069 7.9730 15.8620 -20.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
7071 8.1820 17.1020 -17.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
7073 7.7080 18.3210 -21.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
7076 11.6370 8.1140 -19.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
7077 12.3340 7.5220 -18.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
7078 11.3320 7.0230 -20.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
7079 13.2330 8.2840 -18.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
7080 13.8720 7.7400 -16.9280 C 0 0 0 0 0 0 0 0 0 0 0 0
7081 13.6130 6.4360 -16.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
7082 12.7130 5.6750 -17.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
7083 12.0700 6.2190 -18.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
7084 12.2540 6.7010 -21.9190 C 0 0 0 0 0 0 0 0 0 0 0 0
7085 11.9730 5.7010 -22.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
7086 10.7710 5.0210 -22.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
7087 9.8500 5.3420 -21.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
7088 10.1320 6.3400 -20.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
7163 C[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]3CCC[C@H](N3C1=O)C(=O)NC(c4ccccc4)c5ccccc5)NC
7169 [H][C@]1(NC(=O)[C@@]([H])(C)NC)Cc2ccccc2[C@@]2([H])CCC[C@@]([H])(C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
7172 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
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7193 6.9590 11.5140 -21.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
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7220 12.1890 6.9530 -16.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
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7305 [H][C@]1(NC(=O)c2ccc(F)c3ccccc23)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@…
7308 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@H]21)C(C)(C)C
7327 9.8480 9.9270 -19.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
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7364 8.4040 17.1540 -19.5890 C 0 0 2 0 0 0 0 0 0 0 0 0
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7449 CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N
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7458 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
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7510 13.1220 5.9920 -17.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
7575 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
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7584 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
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7718 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)NC3CCCc4c3cccc4)Oc5ccccc5)NC
7724 [H][C@@](NC(=O)C(C)NC)(C(=O)N1C[C@]([H])(Oc2ccccc2)C[C@@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
7727 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
7746 8.6240 12.4670 -20.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
7748 6.6550 11.2440 -21.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
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7782 11.9950 2.7670 -21.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
7868 C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)N
7874 [H][C@@](Cc1ccc(O)cc1)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H]…
7877 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
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8023 8.8380 12.6910 -20.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
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8127 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3coc4c3cccc4)C(C)(C)C)NC
8133 [H][C@]1(NC(=O)c2coc3ccccc23)CC[C@]2([H])CCN(C(=O)[C@]([H])(NC(=O)[C@@]([H])(C)NC)C(C)(C)C)[C@@]12[…
8136 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3coc4ccccc34)[C@H]21)C(C)(C)C
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9645 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
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9898 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
9901 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
9920 9.5180 9.6180 -20.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
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10050 [H][C@@](C)(N)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@]([H])(C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(…
10053 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
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10193 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C2CCCCC2)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
10196 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
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10342 C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O)N
10348 [H][C@@](Cc1ccc(O)cc1)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(C)N)…
10351 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1
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10371 8.6760 13.6980 -22.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
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10468 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
10474 [H][C@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
10477 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
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10521 10.1290 7.9340 -25.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
10526 8.5330 13.8530 -21.4690 C 0 0 2 0 0 0 0 0 0 0 0 0
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10530 10.7370 13.8640 -22.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
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10533 8.4130 17.1440 -19.5150 C 0 0 2 0 0 0 0 0 0 0 0 0
10534 8.3950 16.8200 -18.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
10618 CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N
10624 [H][C@@](C)(N)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CCCC)C(=O)N[C@@]([H])(Cc1ccc(O)…
10627 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
10646 9.6740 9.6310 -20.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
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10650 6.7830 11.2500 -21.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
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10664 11.8680 6.8310 -24.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
10665 12.8500 4.9210 -23.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
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10667 11.1430 9.1550 -24.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
10668 10.1890 10.1530 -24.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
10669 8.9120 9.9140 -24.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
10670 8.5960 8.6730 -25.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
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10677 8.9170 13.7100 -22.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
10679 8.0930 14.6160 -23.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
10680 10.3740 14.1760 -22.7620 C 0 0 0 0 0 0 0 0 0 0 0 0
10681 7.9690 15.9180 -20.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
10683 8.4710 17.1690 -19.5640 C 0 0 2 0 0 0 0 0 0 0 0 0
10684 8.5830 16.9240 -18.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
10768 CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N
10774 [H][C@@](C)(N)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CCCC)C(=O)N[C@@]([H])(Cc1ccc(O)…
10777 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
10796 8.6990 12.7600 -20.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
10798 6.7160 11.4190 -21.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
10799 6.5730 9.8770 -21.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
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10810 8.6710 14.8060 -23.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
10811 9.3550 14.5810 -25.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
10812 10.8710 14.5370 -24.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
10813 11.2290 13.3930 -23.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
10814 10.5460 13.6180 -22.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
10815 8.4210 17.0840 -17.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
10817 7.5920 18.3410 -21.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
10820 10.9220 8.3470 -21.1640 C 0 0 1 0 0 0 0 0 0 0 0 0
10821 11.8770 9.4450 -21.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
10822 13.2880 8.8520 -21.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
10823 13.7850 8.5700 -20.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
10824 12.7670 7.7690 -19.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
10825 11.4510 7.6700 -19.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
10826 10.5610 6.9200 -19.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
10827 10.9860 6.2720 -18.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
10828 12.3070 6.3690 -17.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
10829 13.1920 7.1140 -18.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
10894 CC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3CCCc4c3cccc4)NC
10900 [H][C@@](NC(=O)C(C)NC)(C(=O)N1CCC[C@]1([H])C(=O)NC1CCCc2ccccc21)C1CCCCC1
10903 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
10923 8.3420 14.1720 -21.9360 C 0 0 1 0 0 0 0 0 0 0 0 0
10924 9.2760 13.9250 -23.1040 C 0 0 2 0 0 0 0 0 0 0 0 0
10925 8.7550 12.8360 -23.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
10926 9.0270 11.4430 -23.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
10927 8.0700 10.9740 -22.4490 C 0 0 1 0 0 0 0 0 0 0 0 0
10928 8.4670 9.5310 -22.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
10929 7.8190 9.4160 -20.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
10930 8.2870 10.7350 -20.0890 C 0 0 2 0 0 0 0 0 0 0 0 0
10932 8.2690 13.0230 -20.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
10934 9.6920 10.5960 -19.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
10935 10.6510 13.5180 -22.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
10936 8.3950 17.3670 -19.8300 C 0 0 2 0 0 0 0 0 0 0 0 0
10937 7.9170 16.1530 -20.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
10939 7.9810 17.2510 -18.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
10941 8.6070 15.9950 -17.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
10942 8.1900 18.6860 -21.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
10946 11.4820 9.2780 -18.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
10947 11.5190 8.2010 -17.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
10948 12.4070 8.9070 -19.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
10949 12.4310 8.2790 -16.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
10950 12.4650 7.2920 -15.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
10951 11.5870 6.2250 -15.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
10952 10.6750 6.1480 -16.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
10953 10.6370 7.1380 -17.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
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10957 12.7810 7.8320 -21.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
10958 11.9320 8.1690 -20.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
11034 CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)NC
11040 [H][C@]12CC[C@@]([H])(C(=O)NC(c3ccccc3)c3ccccc3)N1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(CC)NC)[C@@]([H])…
11043 CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
11062 8.5580 13.9530 -21.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
11063 8.8860 12.8120 -20.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
11066 7.0200 11.4080 -21.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
11067 6.2020 10.3670 -20.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
11068 7.3550 9.4540 -20.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
11069 8.3530 10.4940 -19.8180 C 0 0 1 0 0 0 0 0 0 0 0 0
11070 9.7620 9.9800 -19.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
11072 9.3490 13.7940 -22.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
11073 8.3860 17.1790 -19.4880 C 0 0 2 0 0 0 0 0 0 0 0 0
11074 8.0150 15.8750 -20.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
11076 10.8470 13.8010 -22.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
11077 8.9730 12.4690 -23.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
11078 9.0170 14.9520 -23.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
11079 8.2470 17.0430 -17.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
11081 7.6250 18.3700 -21.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
11084 11.5950 9.1280 -21.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
11085 12.1260 9.4930 -22.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
11086 13.5360 8.9800 -22.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
11087 14.6030 9.7760 -22.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
11088 15.8960 9.3060 -22.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
11089 16.1200 8.0390 -23.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
11090 15.0530 7.2440 -23.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
11091 13.7590 7.7130 -23.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
11152 C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc2ccccc2)C(C)(C)C)NC
11158 [H][C@](C)(NC)C(=O)N[C@@]([H])(C(=O)N1CCC[C@]1([H])C(=O)NCCc1ccccc1)C(C)(C)C
11161 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C
11180 8.8850 12.5050 -20.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
11182 6.7350 11.2810 -20.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
11183 6.3230 9.7990 -20.6800 C 0 0 2 0 0 0 0 0 0 0 0 0
11184 7.6820 9.0530 -20.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
11185 8.6210 10.0350 -20.0180 C 0 0 1 0 0 0 0 0 0 0 0 0
11186 10.0470 9.8360 -20.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
11188 8.5850 13.6110 -21.3680 C 0 0 1 0 0 0 0 0 0 0 0 0
11191 9.3990 13.3960 -22.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
11192 8.4030 16.9170 -19.4460 C 0 0 2 0 0 0 0 0 0 0 0 0
11193 8.0330 15.5900 -20.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
11195 10.8900 13.4030 -22.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
11196 9.0220 12.0490 -23.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
11197 9.0950 14.5190 -23.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
11198 8.2340 16.8420 -17.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
11200 7.6890 18.0380 -21.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
11203 11.7540 9.7710 -22.2020 C 0 0 1 0 0 0 0 0 0 0 0 0
11204 11.9900 8.2890 -22.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
11205 13.3670 8.1390 -23.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
11206 13.2980 8.7330 -24.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
11207 12.7200 10.1230 -24.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
11208 12.0080 10.5990 -23.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
11209 11.4960 11.8900 -23.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
11210 11.6990 12.6990 -24.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
11211 12.4170 12.2230 -25.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
11212 12.9240 10.9410 -25.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
11213 4.5570 8.4450 -21.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
11214 4.8270 7.4600 -20.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
11215 3.8960 6.4720 -20.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
11216 2.6940 6.4630 -21.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
11217 2.4230 7.4430 -21.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
11218 3.3490 8.4380 -22.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
11290 CC(C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC
11296 [H][C@@]1(Oc2ccccc2)CN(C(=O)[C@]([H])(NC(=O)C(C)NC)C(C)(C)C)[C@@]([H])(C(=O)NC2CCCc3ccccc32)C1
11299 CNC(C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
11318 9.2100 12.7240 -20.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
11320 7.3730 11.2540 -21.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
11321 6.6560 10.0980 -21.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
11322 7.8500 9.2600 -20.5200 C 0 0 2 0 0 0 0 0 0 0 0 0
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11324 10.2580 9.7750 -20.7820 C 0 0 2 0 0 0 0 0 0 0 0 0
11325 9.9430 8.3900 -21.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
11326 8.4210 8.4360 -21.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
11328 8.7180 13.8910 -21.7190 C 0 0 1 0 0 0 0 0 0 0 0 0
11331 9.3960 13.8780 -23.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
11332 8.4990 16.9580 -19.4380 C 0 0 2 0 0 0 0 0 0 0 0 0
11333 8.1660 15.6730 -20.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
11335 10.9120 13.9850 -22.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
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11337 8.8950 15.0650 -23.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
11338 8.5090 16.7160 -17.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
11340 7.4810 18.2070 -21.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
11341 10.9740 8.8650 -18.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
11344 12.7900 9.8520 -17.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
11345 11.9480 7.5630 -16.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
11346 12.3550 7.5980 -15.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
11347 12.4220 6.4280 -14.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
11348 12.0830 5.2230 -15.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
11349 11.6760 5.1840 -16.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
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11419 C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)N(C)c3ccccc3)C(C)(C)C)NC
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11611 9.0020 13.1130 -23.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
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11615 8.4390 17.1600 -19.5710 C 0 0 2 0 0 0 0 0 0 0 0 0
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11713 7.6940 10.8600 -21.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
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11716 8.6800 10.1080 -19.8860 C 0 0 1 0 0 0 0 0 0 0 0 0
11717 10.0520 9.5860 -20.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
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11806 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
11825 8.3390 13.8980 -21.6030 C 0 0 2 0 0 0 0 0 0 0 0 0
11826 8.9520 13.6950 -22.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
11827 8.5120 14.8330 -23.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
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11830 11.0900 13.4880 -24.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
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11932 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21)C1CCCCC1
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12037 C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2ccccc2)N
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12046 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
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12086 12.4780 8.1670 -18.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
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12090 13.1530 6.4250 -16.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
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12160 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
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12183 6.9880 11.2640 -21.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
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12187 9.7870 9.7640 -20.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
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12210 13.7910 10.0120 -24.4790 C 0 0 1 0 0 0 0 0 0 0 0 0
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12214 16.1480 10.0800 -23.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
12295 C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O)N
12301 [H][C@@](Cc1ccccc1)(NC(=O)[C@@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(C)N)C(C)C)C(=O)N[C@]([H]…
12304 CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)O
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12325 8.4340 13.8750 -22.8780 C 0 0 2 0 0 0 0 0 0 0 0 0
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12330 7.8110 9.1710 -20.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
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12441 [H][C@]12CC[C@@]([H])(C(=O)NC(c3ccccc3)c3ccccc3)N1C(=O)[C@@]([H])(NC(=O)[C@]([H])(N)CC)[C@@]([H])(C…
12444 CC[C@H](N)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
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12465 6.7190 11.5840 -20.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
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13075 [H][C@]12CC[C@@]([H])(C(=O)NC(c3ccccc3)c3ccccc3)N1C(=O)[C@@]([H])(NC(=O)[C@]([H])(N)CC)[C@@]([H])(C…
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13229 CC(NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
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