IBS-ZINC04039812 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.2370 -0.1880 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -0.9340 -3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -1.3060 -2.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -2.0220 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.3470 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.9870 -1.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -1.2800 -2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -1.0370 -3.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -1.5950 -2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -2.2360 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 -3.0220 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -3.8930 -0.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1760 -5.1140 -1.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6930 -4.8850 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -6.1940 -0.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -5.9390 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -6.6710 1.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -4.5390 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -4.0290 2.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 -7.4320 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -8.5890 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 -10.0980 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -11.0640 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -5.5560 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -5.5190 -2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -5.9210 -2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -6.3580 -1.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -6.3790 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -5.9980 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -3.0600 1.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -1.4230 -2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -0.0110 -5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.7560 -5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.7860 -4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -1.0750 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -2.2820 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -2.8850 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3040 -7.6950 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -7.2370 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -8.4780 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -8.6390 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -9.9690 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -9.3510 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 -11.0980 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -10.9490 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -11.0130 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -12.0060 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -5.1740 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -5.8990 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -6.7200 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -6.0390 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -3.2950 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -2.3490 -2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -1.1340 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -0.6360 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -9.9350 -1.1690 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8490 -10.0200 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 56 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 56 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END