COMGENEX-ZINC06837612 MOE2007 3D Structure written by MMmdl. 44 46 0 0 1 0 0 0 0 0999 V2000 -7.2940 1.2300 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8190 1.2670 5.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 0.5420 4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -0.8270 4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -1.5360 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -0.9030 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 0.4670 2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 1.1500 3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 2.4450 2.7470 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 3.1720 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 2.6050 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 1.3980 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 1.0940 -0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1970 0.0360 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 1.3190 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 0.8460 -2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -0.3530 -2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 1.9110 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.4460 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 2.1610 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 3.3570 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 3.8330 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 3.1170 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 3.9550 0.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 5.1460 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6640 0.2010 4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8870 1.7640 5.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 1.7030 4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 0.8240 6.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 2.3090 5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 -1.3520 5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -2.5920 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -1.4700 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 3.5630 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 0.7320 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 2.3640 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.5140 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 1.7780 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 4.7550 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 3.5180 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 4.9600 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 5.9420 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 5.4820 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 1.7090 -3.4300 O 0 5 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 29 1 0 0 0 0 2 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 44 -1 M END