COMGENEX-ZINC04157734 MOE2007 3D Structure written by MMmdl. 49 51 0 0 0 0 0 0 0 0999 V2000 0.4520 -8.3070 -6.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -9.2750 -5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -8.5580 -4.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -9.3090 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -10.5030 -3.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -8.5440 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -9.1110 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -7.9320 -0.9340 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -6.7360 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -7.1760 -2.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3190 -5.3190 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -4.4030 -0.5390 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6690 -3.0930 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 -2.0530 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 -1.1370 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 -1.8360 -0.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -1.2620 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -0.7620 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.0560 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.7840 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.1240 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 1.2630 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.9930 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 1.3380 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 0.2900 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1520 0.7330 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -7.4760 -5.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -7.8700 -6.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -8.8090 -6.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -10.0880 -5.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -9.6870 -4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -10.1440 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -4.8120 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 -5.2930 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4510 -2.0010 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -2.0200 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -0.4460 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -0.0870 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -1.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -1.8670 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -0.6900 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.7750 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 3.0740 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 1.9260 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 0.4060 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 0.8970 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 1.6750 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -3.2370 0.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0970 -4.0990 0.7500 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 48 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 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 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END