IBS-ZINC04837624 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 -0.2430 1.4170 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -0.0090 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -0.9090 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.2470 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.6830 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -1.8020 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -0.4690 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -2.2700 -2.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.5660 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -2.5940 -4.4010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7620 -3.2250 -4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -1.9350 -5.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.6340 -8.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.7230 -8.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -1.9580 -7.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -3.9460 -8.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -3.4840 -4.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -3.8230 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -4.0730 -0.6870 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6730 -4.9290 0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -4.3120 -1.9040 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5760 1.5130 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 2.0800 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 1.7590 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.5690 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -2.9280 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 0.2160 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -1.0870 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -0.8080 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.1250 -5.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -1.5770 -6.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -0.7630 -8.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -2.1890 -8.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -1.5050 -9.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -1.7900 -8.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -2.5760 -7.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -0.9810 -7.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -4.4650 -8.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -4.6300 -8.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -3.7600 -9.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -3.0080 -6.7190 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1130 -3.6620 -6.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -3.5530 -6.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 41 1 M END