IBS-ZINC06645537 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0700 1.2300 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -0.1730 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.7070 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -0.9050 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -2.3050 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -3.0270 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -2.3430 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -0.9470 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -0.2280 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -3.2460 -0.0560 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 -2.3610 -0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -4.5290 -0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -3.4750 1.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4390 -2.3860 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 -1.7950 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -2.8750 4.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -3.9540 3.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3700 -3.5140 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -4.5430 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -5.0280 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 -6.0990 4.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 1.4780 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 1.9340 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 1.3150 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.8410 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -4.1140 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -0.4100 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 0.8570 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -1.5930 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 -2.7980 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -1.2530 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -1.0650 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -2.4180 4.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -3.3170 4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 -5.0810 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -5.2790 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -4.7040 5.0060 O 0 5 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 M CHG 1 37 -1 M END