COMGENEX-ZINC06727690 MOE2007 3D Structure written by MMmdl. 57 59 0 0 1 0 0 0 0 0999 V2000 0.1140 2.2670 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 2.3930 2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 1.3540 1.9990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6280 0.3400 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 1.4390 3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 1.2050 4.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 1.7910 2.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 1.9880 1.5260 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3440 1.2230 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 1.5920 0.5560 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 3.3790 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 4.5160 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 5.8080 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 5.9760 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 4.8610 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2660 3.5650 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8870 2.4240 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8710 2.5710 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 6.8020 2.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 8.1410 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 1.9220 3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 0.5600 4.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 1.3820 5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9190 1.4480 6.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8250 -0.6230 7.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -0.7080 6.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 1.2590 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 2.9740 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 2.4890 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 2.2760 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 3.4100 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 4.4040 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 6.9610 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6120 5.0440 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1590 1.5690 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7670 3.0620 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4710 3.1060 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 8.3410 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 8.3630 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 8.8070 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 2.4000 4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 2.5880 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 0.0920 3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -0.1160 4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 2.3930 4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 0.8210 4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 1.8370 6.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4660 2.0680 7.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 -1.6180 7.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3420 -0.0540 8.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 -1.3310 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -1.1110 6.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 0.6760 5.6300 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1770 1.2340 6.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1160 0.0800 7.1740 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.7000 -0.5010 6.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6720 0.1680 8.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 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 32 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 53 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 53 1 M CHG 1 55 1 M END