COMGENEX-ZINC06801647 MOE2007 3D Structure written by MMmdl. 45 47 0 0 0 0 0 0 0 0999 V2000 0.3010 1.3910 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.0860 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.5470 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -1.0000 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -1.3860 -2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -1.3000 -3.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.8430 -3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -0.4580 -1.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -0.7320 -4.5790 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 0.9780 -4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 1.5730 -5.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 2.2170 -6.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 2.7150 -7.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 2.5760 -8.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 1.9360 -7.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 1.4380 -6.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 3.0880 -9.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 2.8680 -9.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -1.8470 -2.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 -2.2450 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -3.5630 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -3.4990 -3.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 -3.2510 -4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -1.9060 -3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 1.5980 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 2.0080 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 1.7070 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.6840 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -0.2630 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.0150 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 0.9930 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 1.5960 -3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 2.3200 -6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 3.2040 -8.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 1.8170 -7.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 0.9300 -5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 -1.4520 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -2.3930 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -4.4000 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 -3.7810 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -4.0750 -4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 -3.2470 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -1.7590 -4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 -1.0980 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 3.7040 -10.1990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 45 -1 M END