IFLAB-ZINC04519285 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3760 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0410 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1890 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6040 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.4070 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2490 -2.1600 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -2.7480 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8560 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -4.3210 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -4.8580 -0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8400 -4.4990 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -6.3640 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -7.1560 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -8.4910 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -8.4350 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -7.1440 0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -4.2760 1.4830 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -4.7950 2.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.8950 1.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -5.0820 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -6.2700 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -6.7030 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 -5.8650 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -4.4380 0.6760 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.4780 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.3870 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -4.6700 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -4.6790 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -6.8340 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -9.3840 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -9.2840 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -6.8510 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 -7.6470 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -6.0360 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END