IBS-ZINC02131404 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.2680 1.4270 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.0920 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -0.5780 0.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8350 -0.1780 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -2.1110 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -2.8370 1.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -2.5870 -1.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -1.9460 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -4.0280 -1.4120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7670 -4.5340 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -4.3420 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -3.8870 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -4.5290 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -3.7910 -4.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -4.0300 -4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -2.6710 -4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -2.7100 -4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -1.6680 -4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -0.6290 -5.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -0.6140 -6.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -1.6370 -5.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -4.6450 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -3.8970 -1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -0.1390 1.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.3470 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 0.0180 3.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 0.6560 3.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 1.0600 4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 1.6910 4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 1.9250 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 1.5280 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 0.8960 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 0.4700 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 0.6750 0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 1.7280 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 1.8720 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 1.8460 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.4570 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.5110 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -3.8810 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -5.4240 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -5.4440 -3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -1.6700 -4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 0.1720 -5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 0.2030 -6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -1.6260 -5.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -0.8740 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 0.8780 5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 1.9990 5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 2.4150 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 1.7150 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -5.8370 -0.5190 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 24 25 1 0 0 0 0 24 33 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 M CHG 1 52 -1 M END