IBS-ZINC02131230 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.5980 1.8180 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.4030 -0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -0.3270 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 0.1900 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -0.6530 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -2.0320 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -2.5800 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -1.7130 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -3.9890 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -4.2660 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -3.0760 0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -2.9500 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -5.6330 0.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0400 -5.8870 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -6.4170 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -5.0630 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -5.7450 1.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0690 -5.8750 2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -6.1480 3.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -6.0160 4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 -6.6540 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0510 -6.7500 4.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5100 -7.0860 2.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -6.8720 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -7.5060 0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7330 -7.8400 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8210 -6.8750 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3540 -6.7710 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -5.8090 3.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 2.2450 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 2.1300 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 2.2040 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 1.2590 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -0.2410 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.1090 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -6.4710 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -7.2430 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -4.8330 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -5.1180 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5650 -8.5730 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0300 -8.3920 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2100 -6.2430 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1530 -6.0630 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0120 -7.3870 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -4.8340 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -6.6400 0.5540 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1940 -6.5520 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -7.5960 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 46 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 24 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 29 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END