11A9U_SB2_A_800 2 RDKit 3D 3 4 43 46 0 0 0 0 0 0 0 0999 V2000 5 -0.9400 21.5700 27.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1.7670 22.3460 28.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 7 0.5880 21.2640 27.4030 S 0 0 0 0 0 0 0 0 0 0 0 0 8 0.4630 17.2150 27.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 9 0.0750 18.5630 27.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 10 1.0690 19.5790 27.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 11 2.4440 19.2780 27.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 12 2.8260 17.9330 27.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 13 1.8520 16.8530 27.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 14 0.4690 9.3540 28.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 15 0.0330 10.1300 27.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 16 0.5600 11.4490 27.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 17 1.5720 11.9530 28.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 18 1.9890 11.0570 29.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 19 1.4080 9.7650 29.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 20 1.3470 14.4320 28.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 21 2.2550 15.4900 28.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 22 3.5760 15.1690 28.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 23 3.5530 13.7840 28.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 24 2.1500 13.3030 28.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 25 5.3380 13.3370 30.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 26 6.5350 12.7070 30.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 27 7.1890 11.8340 29.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 28 6.6360 11.5840 28.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 29 5.4270 12.2190 27.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 30 4.7550 13.1100 28.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 31 8.3550 11.2330 30.0350 F 0 0 0 0 0 0 0 0 0 0 0 0 32 1.6340 22.2239 29.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 33 2.7955 22.0708 28.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 34 1.5809 23.3943 28.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 35 -0.3041 16.4267 27.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 36 -0.9824 18.8217 27.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 37 3.1971 20.0798 27.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 38 3.8891 17.6939 28.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 39 -0.7354 9.7435 27.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 40 0.2025 12.0715 26.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 41 2.7471 11.3840 30.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 42 1.7248 9.0910 30.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 43 0.3282 14.4661 28.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 44 4.8395 14.0158 30.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 45 6.9656 12.8907 31.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 46 7.1466 10.9040 27.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 47 4.9987 12.0338 26.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 48 1 3 2 0 49 2 3 1 0 50 3 6 1 0 51 4 5 2 0 52 4 9 1 0 53 5 6 1 0 54 6 7 2 0 55 7 8 1 0 56 8 9 2 0 57 9 17 1 0 58 10 11 2 0 59 10 15 1 0 60 11 12 1 0 61 12 13 2 0 62 13 14 1 0 63 13 20 1 0 64 14 15 2 0 65 16 17 1 0 66 16 20 1 0 67 17 18 2 0 68 18 19 1 0 69 19 20 2 0 70 19 26 1 0 71 21 22 2 0 72 21 26 1 0 73 22 23 1 0 74 23 24 2 0 75 23 27 1 0 76 24 25 1 0 77 25 26 2 0 78 2 28 1 0 79 2 29 1 0 80 2 30 1 0 81 4 31 1 0 82 5 32 1 0 83 7 33 1 0 84 8 34 1 0 85 11 35 1 0 86 12 36 1 0 87 14 37 1 0 88 15 38 1 0 89 16 39 1 0 90 21 40 1 0 91 22 41 1 0 92 24 42 1 0 93 25 43 1 0 94A 1 95O2 96A 2 97C1 98A 3 99S1 100A 4 101CA1 102A 5 103CA2 104A 6 105CA3 106A 7 107CA4 108A 8 109CA5 110A 9 111CA6 112A 10 113NB1 114A 11 115CB2 116A 12 117CB3 118A 13 119CB4 120A 14 121CB5 122A 15 123CB6 124A 16 125NC1 126A 17 127CC2 128A 18 129NC3 130A 19 131CC4 132A 20 133CC5 134A 21 135CD1 136A 22 137CD2 138A 23 139CD3 140A 24 141CD4 142A 25 143CD5 144A 26 145CD6 146A 27 147FD3 148M END 149