IBS-ZINC05160665 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -2.6840 0.1930 3.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -0.8140 3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -1.0070 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -2.1540 2.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -2.8450 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -3.9380 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -4.3730 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -3.7090 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -2.5510 1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -1.7490 2.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.2450 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.7680 3.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 1.2200 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 2.0270 4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 3.4150 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 4.3980 4.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 3.3360 2.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 1.9650 2.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0800 1.7530 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 1.7180 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 1.1920 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 0.9370 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.2020 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 1.7190 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 1.9740 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 4.4800 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 5.3290 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 6.5590 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 8.2860 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 8.1590 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 1.7080 5.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 1.1040 3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -0.1970 4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 0.4500 4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.4740 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -4.5080 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -5.2580 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -4.0380 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 0.9680 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 0.5250 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.9990 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 1.9180 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 2.3720 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 4.1250 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 5.0970 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 5.6230 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 4.7350 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 6.2460 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 7.2160 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 8.9910 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 7.6660 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 8.8100 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 7.4560 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 8.8430 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 8.7110 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 2.5530 6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 7.3790 0.0090 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9340 6.7220 -0.4410 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 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 57 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 57 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 57 1 0 0 0 0 31 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END