IBS-ZINC05024709 MOE2007 3D Structure written by MMmdl. 52 53 0 0 0 0 0 0 0 0999 V2000 -1.2930 0.5330 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 1.3160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 1.6360 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 2.8120 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 3.0980 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 2.2080 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 1.0360 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 0.7490 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 2.5270 4.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 3.9120 5.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 3.3620 7.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 2.0560 6.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 1.6110 5.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 0.0530 5.1360 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 5.3410 7.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 5.3380 8.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 7.8910 8.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 7.8580 9.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 6.5170 10.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 7.6960 10.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 0.3140 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -0.4190 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 1.0980 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 0.7430 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 2.2450 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 3.5100 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 4.0090 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 0.3310 4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -0.1750 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 4.4400 4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 4.4130 4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 3.2780 8.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 3.9760 7.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 1.3740 7.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 5.7010 6.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 5.9750 7.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 5.1280 9.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 4.5720 8.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 8.7690 9.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 7.9490 7.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 6.9980 9.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 7.8380 10.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 8.7590 9.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 6.3850 11.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 5.6050 10.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 7.8900 10.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 8.6070 11.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 7.4880 11.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 3.9580 6.7140 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5100 3.3010 6.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 6.6610 9.1780 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0730 6.8140 8.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 49 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 51 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 51 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M END