COMGENEX-ZINC06675863 MOE2007 3D Structure written by MMmdl. 46 48 0 0 0 0 0 0 0 0999 V2000 0.6020 5.9420 -4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 5.9280 -3.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 4.7700 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 3.7840 -2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 4.8630 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 5.9980 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 6.0810 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 5.0390 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 3.9050 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 3.8080 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 2.6280 -2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 2.8110 -3.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 1.3970 -1.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 0.2270 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -0.2270 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.4360 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -1.8280 -3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -1.0200 -3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 0.1790 -4.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 0.5720 -3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.1890 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 1.7950 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 1.4440 -0.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.7350 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 2.2490 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 3.1070 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 6.9060 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 5.1480 -5.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 5.8350 -3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 6.8240 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 6.9680 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 5.1210 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 3.1160 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 0.4370 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -0.5710 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -2.0850 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -2.7700 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -1.3310 -4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 0.8070 -5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 1.5140 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 1.6470 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.1240 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 2.0970 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 3.9080 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.8000 0.6730 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3360 3.2800 1.3040 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 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 23 1 0 0 0 0 22 45 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END