COMGENEX-ZINC06688506 MOE2007 3D Structure written by MMmdl. 55 59 0 0 1 0 0 0 0 0999 V2000 0.1370 1.1300 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 0.9100 2.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 0.4020 3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -0.0240 4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.4950 5.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.5360 6.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -0.1050 5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 0.3620 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 1.1680 1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 1.7310 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 0.8290 -0.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 0.3660 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 1.4120 -2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 2.5960 -2.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 3.6440 -2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 3.1700 -2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 1.7600 -2.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 0.5240 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 0.9480 1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -0.3790 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -1.7540 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -2.5670 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6290 -1.9940 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7960 -0.6400 -1.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8830 0.1320 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5490 -2.8290 -2.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 -4.2820 -2.1900 C 0 5 0 0 0 0 0 0 0 0 0 0 -9.5790 -4.7150 -3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2280 -3.6170 -3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6170 -2.5300 -2.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 0.5540 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.8140 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 2.1960 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 0.0030 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.8410 6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -0.9120 7.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -0.1300 5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 2.6640 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 1.9400 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 0.1030 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -0.5400 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 0.9850 -3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 3.7160 -3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 4.5980 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 3.6280 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 3.3370 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -2.1990 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -3.6480 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 1.2000 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6710 -4.6520 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8120 -5.7370 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0880 -3.5300 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9170 -1.5780 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 0.8470 2.8430 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2190 0.9080 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 9 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 54 2 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 14 15 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 45 1 0 0 0 0 16 46 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 2 0 0 0 0 21 22 2 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 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 54 1 M END