IBS-ZINC05389395 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.1950 1.4690 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.0040 -1.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.6640 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.0530 -0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.1710 -1.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8210 -2.7090 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -4.1790 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -4.9150 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -6.2640 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -6.8880 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -6.1630 -2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -4.8000 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -4.1250 -2.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -2.6740 -2.3570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4810 -2.4360 -3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -2.0100 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -3.9980 -3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -4.6610 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 -1.8780 -4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -7.0400 -0.7260 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1430 -6.4900 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -8.2300 -0.9790 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4520 -2.6760 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -3.3580 -0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8220 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 1.8470 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 1.8280 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -0.4850 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -2.5640 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -2.1710 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -4.4300 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -7.9420 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -6.6530 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -0.9320 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -2.2240 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -4.2400 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -4.3660 -4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -5.7390 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -4.4480 -4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 -2.0430 -3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -0.8080 -4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 -2.2900 -5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -2.5420 -3.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -2.3670 1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -2.7130 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 43 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END