COMGENEX-ZINC04781839 MOE2007 3D Structure written by MMmdl. 58 60 0 0 1 0 0 0 0 0999 V2000 5.9680 -0.3470 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 0.4250 1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 0.3780 2.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8910 -0.6690 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 1.0310 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 1.0510 1.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 0.6310 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -0.3150 1.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 1.4260 -0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3730 2.4950 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 1.1120 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 1.4800 -2.5410 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.4270 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 2.8210 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 2.8050 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 1.7790 -0.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 0.4050 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 0.3840 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 1.9210 -0.0350 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 3.3160 -0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 0.9020 -0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 1.5440 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 1.5330 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 1.2490 3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 0.2750 4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 0.0150 5.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 0.7200 6.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6710 1.6810 5.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 1.9400 4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -1.3940 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 0.0890 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -0.3260 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 1.4640 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 -0.0060 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 0.9810 3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 0.5280 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 2.0890 3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 1.8550 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 1.7180 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 0.0580 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 3.5370 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 3.2050 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 3.7980 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 2.5940 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -0.3000 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 0.0840 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 0.5930 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.6270 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 1.3490 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 1.7640 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -0.3060 3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -0.7440 6.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 0.5160 7.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 2.2270 6.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1140 2.6920 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 0.9990 -0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5530 1.3130 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.0310 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 56 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 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 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 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