IBS-ZINC05164815 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0660 1.5020 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -0.7050 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -2.0860 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.7710 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -2.0640 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.6840 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1690 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -4.8560 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -4.1740 -2.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -4.8010 -3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -6.1900 -3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -6.8720 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -6.1780 -1.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -8.2550 -2.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -8.9630 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -10.4470 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -11.2880 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -12.5770 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -12.4450 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -11.1540 -1.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -6.9250 -4.8230 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6360 -7.2920 -5.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -7.1630 -5.2920 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1870 -4.0800 -4.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 1.8430 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.8840 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 1.8680 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -0.1720 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -2.6320 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -2.5940 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -0.1330 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -4.6570 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -8.7550 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -8.7450 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -8.6350 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -11.0300 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -13.4910 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -13.2430 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -3.1120 -4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -4.5440 -5.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END