IFLAB-ZINC04173493 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4410 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 1.2630 -0.5200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 0.7260 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.9780 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 3.6830 0.0070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -2.2150 -0.0240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -0.8320 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -2.0450 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -0.2470 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -1.0280 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -0.5360 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -1.5720 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -2.8030 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -2.7300 0.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -4.0810 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5850 -3.7510 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0980 -2.5690 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 -1.2980 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 0.8630 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 1.9740 0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 2.0250 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 0.7200 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 -4.5080 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -4.7940 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2250 -4.6170 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5930 -3.4850 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9160 -2.7600 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1670 -2.4430 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 -1.0160 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5910 -0.4910 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 21 3 0 0 0 0 M END