IFLAB-ZINC04078701 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3680 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 1.2280 -0.7020 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0370 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.8260 0.0110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -1.0870 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.4490 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -2.0330 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -3.7810 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -4.7500 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -4.4560 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -6.1990 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -7.0480 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -7.4630 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -7.1960 -2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -8.3180 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -8.3250 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -7.4790 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -7.2280 2.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8900 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 1.9920 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -4.0170 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -6.4030 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -6.4120 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -7.8680 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -9.3280 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -7.8790 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -9.3400 1.1130 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 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 8 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 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 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 M END