IFLAB-ZINC04519083 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -1.8140 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.6040 0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -2.3090 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -1.5180 3.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -3.6330 2.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -4.1190 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -5.6480 3.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4260 -6.0260 3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -6.1480 5.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -6.9370 6.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -7.1570 7.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -6.4900 6.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -5.8850 5.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -6.2330 2.4950 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -5.9410 1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -5.9190 2.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -7.9900 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -8.6900 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -10.0680 2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -10.7470 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -10.0470 3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -8.6690 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -12.2490 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 0.1420 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -4.2650 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -3.7410 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -3.7670 4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -7.3260 6.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -7.7480 8.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 -6.4500 7.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -8.1600 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -10.6150 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -10.5770 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -8.1220 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -12.6900 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -12.5640 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -12.5800 2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 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 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 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 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END