IBS-ZINC04815431 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.8300 0.8910 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -0.4760 -0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -0.9940 -1.2960 P 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -0.2130 -1.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -2.7590 -1.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0120 -3.3220 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -2.9230 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -3.0870 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -3.2380 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -3.2250 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -3.0610 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -2.9050 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -2.7240 1.5080 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9820 -2.5850 2.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.7130 0.4760 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7110 -3.2600 -2.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -4.0590 -3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.4240 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -5.2140 -3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -5.6420 -5.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -5.2810 -5.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -4.4870 -4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -0.8020 -2.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 0.4800 -3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.5120 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 1.2100 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 0.9940 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -3.0970 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 -3.3670 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -3.3440 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -3.0510 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -3.0370 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -4.0900 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -5.4980 -3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -6.2600 -5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -5.6170 -6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -4.2010 -4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 0.9960 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 1.0670 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 0.3530 -4.2360 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 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 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END