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Searched refs:H (Results 11751 – 11775 of 218343) sorted by relevance

1...<<471472473474475476477478479480>>...8734

/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/rdkit_addh/
H A D2y76_cb7.sdf38 5.4667 14.8932 27.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
39 4.6972 12.4994 28.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
40 3.7141 11.2686 30.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
41 4.0818 16.5286 32.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
42 4.9968 18.1261 30.7238 H 0 0 0 0 0 0 0 0 0 0 0 0
43 6.0541 17.0008 27.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
44 5.1243 18.3618 28.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
45 4.0198 20.6350 29.6966 H 0 0 0 0 0 0 0 0 0 0 0 0
46 6.8887 21.4422 27.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
47 8.3280 21.2100 30.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D3apf_bmw.sdf36 46.5467 16.3696 32.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
37 49.7300 20.2004 31.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
38 47.6422 21.6150 31.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
39 44.9408 21.0638 32.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
40 43.3583 19.1582 32.9005 H 0 0 0 0 0 0 0 0 0 0 0 0
41 42.9626 16.8230 34.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
42 42.2484 17.7881 33.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
43 41.5167 15.1013 33.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
44 40.9316 15.9204 32.5404 H 0 0 0 0 0 0 0 0 0 0 0 0
45 45.4220 10.8525 30.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2r0u_m54.sdf36 20.9501 -3.9035 10.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
37 18.9662 -4.8856 11.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
38 18.5308 -0.4300 8.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
39 14.3333 -3.7199 11.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
40 12.5130 0.3992 9.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
41 14.4857 1.4168 8.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
42 22.6486 -3.0806 9.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
43 24.1145 -1.3596 7.7388 H 0 0 0 0 0 0 0 0 0 0 0 0
44 20.2461 0.4098 7.9003 H 0 0 0 0 0 0 0 0 0 0 0 0
45 16.1390 -5.9887 11.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2rfs_am8.sdf36 19.7174 6.4456 63.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
37 18.5280 6.7027 61.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
38 19.5678 5.2379 61.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
39 18.6501 9.1848 61.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
40 19.2534 9.8792 59.7059 H 0 0 0 0 0 0 0 0 0 0 0 0
41 18.3958 8.3008 59.7059 H 0 0 0 0 0 0 0 0 0 0 0 0
42 22.5779 5.6768 62.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
43 22.1432 4.6394 61.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
44 23.6949 5.5443 61.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
45 23.5578 7.6510 60.1037 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2rd2_qsi.sdf37 45.9644 31.8567 14.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
38 44.9378 30.9817 13.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
39 44.5078 32.4334 15.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
40 43.0158 33.0752 13.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
41 42.2109 31.4919 13.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
42 41.7754 32.3086 16.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
43 42.5314 33.8958 15.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
44 40.5331 35.6210 15.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
45 40.5531 35.2713 13.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
46 45.7943 29.6250 15.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2vpr_tdc.sdf36 -27.1305 10.0209 -18.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
37 -28.3860 12.0863 -18.5029 H 0 0 0 0 0 0 0 0 0 0 0 0
38 -29.2149 14.1194 -20.5547 H 0 0 0 0 0 0 0 0 0 0 0 0
39 -28.1711 14.8597 -22.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
40 -26.6065 13.3478 -23.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
41 -24.3042 12.0096 -24.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
42 -24.8683 10.4988 -24.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
43 -25.9161 11.9578 -24.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
44 -24.6485 8.8693 -24.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
45 -23.4996 9.0172 -22.9107 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2vx3_d15.sdf37 38.2606 26.4468 -38.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
38 42.1073 27.8825 -39.9206 H 0 0 0 0 0 0 0 0 0 0 0 0
39 42.5764 25.7091 -41.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
40 40.8778 23.9184 -40.8424 H 0 0 0 0 0 0 0 0 0 0 0 0
41 38.7832 23.1937 -40.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
42 36.4941 23.4041 -39.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
43 36.8160 25.0680 -39.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
44 38.0200 25.1943 -41.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
45 37.4167 23.4975 -41.8901 H 0 0 0 0 0 0 0 0 0 0 0 0
46 35.3545 25.2297 -41.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2wo6_d15.sdf37 38.2606 26.4468 -38.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
38 42.1073 27.8825 -39.9206 H 0 0 0 0 0 0 0 0 0 0 0 0
39 42.5764 25.7091 -41.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
40 40.8778 23.9184 -40.8424 H 0 0 0 0 0 0 0 0 0 0 0 0
41 38.7832 23.1937 -40.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
42 36.4941 23.4041 -39.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
43 36.8160 25.0680 -39.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
44 38.0200 25.1943 -41.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
45 37.4167 23.4975 -41.8901 H 0 0 0 0 0 0 0 0 0 0 0 0
46 35.3545 25.2297 -41.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2z0p_4pt.sdf38 11.5574 38.5267 1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
39 10.1387 37.6888 -0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0
40 11.2861 36.5102 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
41 8.9990 37.9683 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
42 8.7026 35.4660 1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0
43 11.0080 35.9938 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0
44 11.0093 37.7677 2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0
45 8.5321 37.0921 6.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
46 10.0816 34.8902 5.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
47 9.5443 35.4852 7.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2hz0_gin.sdf36 14.6917 50.6446 59.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
37 15.8284 48.4458 59.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
38 14.1590 52.4172 57.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
39 13.8167 52.0338 55.7991 H 0 0 0 0 0 0 0 0 0 0 0 0
40 11.6820 50.9323 56.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
41 12.0112 51.2116 58.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
42 11.3487 53.4121 58.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
43 12.2121 53.6819 56.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
44 10.5735 52.9459 56.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
45 21.5492 44.4876 56.7059 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D2w1c_l0c.sdf36 7.4211 30.3502 1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0
37 6.3994 30.7278 4.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
38 6.8261 26.5176 4.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
39 7.8436 26.1580 2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
40 5.3944 30.7348 5.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
41 5.9796 29.4433 8.9483 H 0 0 0 0 0 0 0 0 0 0 0 0
42 4.6449 31.0079 10.5039 H 0 0 0 0 0 0 0 0 0 0 0 0
43 3.4276 33.3121 2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
44 1.6589 34.9185 1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
45 -0.9082 35.5940 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4d3u_rfq.sdf37 2.0189 21.4124 23.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
38 4.6210 21.2172 23.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
39 5.3996 19.1460 24.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
40 3.9290 15.7553 26.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
41 2.0255 16.5618 27.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
42 3.0868 17.0621 23.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
43 4.4591 16.5975 21.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
44 6.6600 15.4340 21.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
45 6.1426 15.3150 25.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
46 8.2075 14.8862 24.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4fox_d16.sdf37 -0.0590 6.0015 20.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
38 -2.5442 5.9229 20.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
39 -3.6328 6.2111 19.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
40 -2.5251 4.7969 19.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
41 1.0534 9.7259 16.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
42 4.0437 8.1303 19.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
43 2.2793 6.6844 20.0891 H 0 0 0 0 0 0 0 0 0 0 0 0
44 4.1706 10.5116 17.8327 H 0 0 0 0 0 0 0 0 0 0 0 0
45 4.4787 9.2019 16.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
46 2.4699 12.7888 14.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4cmt_gwh.sdf37 27.0015 47.0474 9.6769 H 0 0 0 0 0 0 0 0 0 0 0 0
38 30.8370 46.2162 7.9102 H 0 0 0 0 0 0 0 0 0 0 0 0
39 28.9800 43.2066 11.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
40 28.9792 42.2794 10.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
41 32.0269 44.3636 7.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
42 33.1713 42.2123 9.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
43 32.3200 41.9084 7.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
44 33.9324 42.7000 7.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
45 35.0607 47.9452 8.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
46 35.7131 47.6760 10.6843 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4dei_0jl.sdf38 28.0156 31.1395 62.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
39 28.8009 30.1067 60.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
40 29.0802 31.8812 60.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
41 26.3879 29.2591 60.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
42 24.8691 28.0747 59.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
43 23.0629 26.5782 58.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
44 21.9187 31.2516 55.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
45 19.3352 29.9399 54.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
46 20.1843 31.3309 53.5336 H 0 0 0 0 0 0 0 0 0 0 0 0
47 20.9479 29.7050 53.5336 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4gg5_0j3.sdf37 -4.8413 17.1847 33.6434 H 0 0 0 0 0 0 0 0 0 0 0 0
38 -4.6774 16.3794 35.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
39 -6.1616 18.8913 34.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
40 -6.7362 17.3878 35.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
41 -5.7415 18.6728 38.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
42 -7.3232 18.6108 37.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
43 -6.2469 17.1727 37.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
44 -3.8046 19.1481 37.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
45 -4.6445 20.5595 36.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
46 -2.5128 19.6203 35.6143 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4h3i_10v.sdf38 28.9610 11.1049 17.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
39 30.1759 10.4590 19.4848 H 0 0 0 0 0 0 0 0 0 0 0 0
40 26.3525 10.2473 21.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
41 26.4585 11.3145 17.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
42 24.3024 10.0006 21.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
43 24.3157 11.8802 17.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
44 20.7911 12.4387 21.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
45 21.8108 8.4610 22.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
46 23.1692 9.4941 25.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
47 20.1347 9.8090 19.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4hld_16t.sdf38 12.4273 -3.5759 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
39 11.6693 -4.1034 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
40 13.3418 -3.4481 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
41 11.4754 -1.6818 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
42 11.1116 0.3041 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
43 9.8492 1.5886 2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
44 8.5599 -0.3075 2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0
45 9.9334 -0.9304 3.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
46 8.2817 1.5836 4.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
47 8.3699 0.1044 5.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4gh6_luo.sdf36 77.8348 49.6634 41.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
37 77.2133 50.3861 39.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
38 77.8608 48.7105 39.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
39 79.2342 49.4364 37.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
40 81.5076 50.3136 37.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
41 82.7846 51.5566 39.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
42 81.7755 51.9624 41.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
43 79.1462 50.9200 45.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
44 75.4092 53.7891 43.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
45 76.0480 55.1049 40.8670 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4gh8_mtx.sdf38 127.1004 -1.6486 7.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
39 126.8194 -2.3325 6.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
40 129.8966 0.6042 2.9001 H 0 0 0 0 0 0 0 0 0 0 0 0
41 128.1947 0.7177 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
42 128.7370 5.1417 7.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
43 130.3985 5.1993 4.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
44 128.7600 5.9732 4.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
45 129.4167 7.8285 7.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
46 130.0656 8.5109 5.5198 H 0 0 0 0 0 0 0 0 0 0 0 0
47 128.4939 7.6411 5.5198 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4h3f_10o.sdf38 21.2902 12.4857 21.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
39 22.1642 8.4818 22.5538 H 0 0 0 0 0 0 0 0 0 0 0 0
40 20.8740 8.6233 20.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
41 20.8576 9.9846 19.6449 H 0 0 0 0 0 0 0 0 0 0 0 0
42 19.0376 12.1387 21.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
43 19.4274 11.0702 23.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
44 24.7740 10.2209 22.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
45 25.3227 11.9214 18.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
46 22.9997 9.4981 25.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
47 26.8015 9.9582 22.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4i9i_1dy.sdf38 36.1661 25.2889 18.9750 H 0 0 0 0 0 0 0 0 0 0 0 0
39 36.0512 25.3887 14.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
40 34.8544 26.9544 12.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
41 33.4327 28.8430 13.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
42 33.1146 29.2525 15.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
43 35.2296 28.0591 20.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
44 35.2348 26.3015 20.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
45 32.7490 27.4466 19.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
46 33.1089 27.8982 21.2906 H 0 0 0 0 0 0 0 0 0 0 0 0
47 33.1124 26.4168 22.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4kcj_h36.sdf37 3.0692 -2.9461 28.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
38 -1.3047 -0.7911 31.7967 H 0 0 0 0 0 0 0 0 0 0 0 0
39 0.3587 -2.7918 32.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
40 1.9519 -3.3053 30.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
41 0.3382 -0.1664 27.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
42 3.6971 0.1303 26.5244 H 0 0 0 0 0 0 0 0 0 0 0 0
43 0.0106 -0.9078 24.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
44 1.0851 -0.4198 22.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
45 3.4738 0.3294 22.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
46 4.9373 2.1825 25.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D4hyh_1am.sdf37 6.8276 -6.4958 12.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
38 6.6990 -3.1558 10.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
39 9.2936 -6.5243 12.7838 H 0 0 0 0 0 0 0 0 0 0 0 0
40 11.2122 -6.6909 10.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
41 11.4259 -6.3282 12.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
42 13.6137 -6.5466 11.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
43 13.1122 -5.1935 10.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
44 13.4613 -4.9648 13.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
45 13.0069 -2.9734 11.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
46 13.1321 -2.6717 12.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]
H A D3iw4_lw4.sdf38 9.5740 32.4129 52.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
39 7.7354 33.7661 54.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
40 1.7461 32.8961 51.5345 H 0 0 0 0 0 0 0 0 0 0 0 0
41 -0.1293 32.2052 50.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
42 -0.3879 29.8045 49.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
43 1.2412 28.1086 50.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
44 3.0764 35.5850 54.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
45 4.8354 26.0730 53.6664 H 0 0 0 0 0 0 0 0 0 0 0 0
46 4.1015 26.4297 52.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
47 6.3108 25.1147 51.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
[all …]

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