COMGENEX-ZINC04156405 MOE2007 3D Structure written by MMmdl. 48 49 0 0 1 0 0 0 0 0999 V2000 -1.3780 -1.5000 3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -0.7070 2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -1.6240 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.8420 0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1000 -0.0920 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.1490 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -0.7190 -0.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 1.2050 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 1.9640 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 3.4360 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -1.9380 -1.4060 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -2.5540 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -2.5240 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -3.8490 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -3.8340 -1.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -5.0060 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -5.9700 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -5.5470 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -6.4860 2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -7.7980 1.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -8.1940 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -7.3330 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 -5.0690 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 -4.7280 -1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -2.2400 3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -0.8300 4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -2.0260 3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -0.1670 2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 0.0420 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -2.1820 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -2.3550 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 1.7100 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 1.7380 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 3.6990 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 3.6710 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 4.0580 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 -2.0300 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -5.4760 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -4.7080 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -4.5110 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -6.1970 3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -9.2590 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -7.7290 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -5.7660 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 -5.5390 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6800 -5.5550 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -1.7630 -0.9490 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1760 -0.7490 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 12 47 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END