IBS-ZINC02139933 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.0180 0.6480 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.6100 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -0.8940 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 0.0790 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 1.3410 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.6230 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 -0.2430 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -0.4830 -1.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 -1.1850 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -1.4690 -0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 -1.5730 -2.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -1.1550 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 -1.3300 -5.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 -2.5610 -4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 -2.4970 -3.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0480 -2.1070 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 -3.8870 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -4.2690 -2.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9280 -4.6720 -2.4950 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -6.0660 -2.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0280 -6.1260 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1520 -6.4430 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 -6.4700 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4160 -6.7680 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5650 -7.0380 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5180 -7.0060 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3210 -6.7060 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 -7.0820 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 -6.7640 -4.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 0.8700 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -1.3710 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -1.8780 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 2.1130 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 2.6040 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 0.5950 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 -1.1220 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -1.8300 -4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -0.1270 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -1.4470 -6.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9940 -0.4610 -5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 -3.4680 -5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1350 -2.5570 -5.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 -4.3160 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 -6.2530 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4510 -6.7880 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4970 -7.2710 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4130 -7.2150 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3050 -6.6800 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -8.1190 -2.7980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 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 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 49 -1 M END