COMGENEX-ZINC06769769 MOE2007 3D Structure written by MMmdl. 58 59 0 0 0 0 0 0 0 0999 V2000 5.6150 2.2090 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 3.6300 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 3.9940 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 4.6620 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 3.7000 1.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 3.4320 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 3.0850 2.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 3.5470 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 3.0730 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 1.5740 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 1.1300 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.8980 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -2.2840 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.8040 -2.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -4.0900 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -4.5280 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -3.2920 -1.9820 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 4.0130 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 3.6750 -2.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 4.9450 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 6.2620 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 7.2420 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 7.5100 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 6.2140 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 5.2460 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 1.4780 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 2.1140 4.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 1.9200 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 4.9950 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7390 3.9700 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 3.3030 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 4.4200 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 4.7210 4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 5.6560 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 3.6410 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.2790 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 1.0020 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 1.3540 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 1.6780 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 1.2470 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -0.8800 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -0.2420 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -4.6710 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -5.4850 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 4.4380 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 6.7280 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 6.0850 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 6.8380 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 8.1860 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 8.1540 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 8.0550 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 5.7390 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9760 6.4370 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 4.3130 -2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 5.6720 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.3140 -1.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6380 -0.8840 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.4920 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 56 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 56 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 M CHG 1 56 1 M END