IFLAB-ZINC04275729 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2080 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.3960 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 3.5640 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 4.1630 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 4.2480 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 5.6340 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 6.4230 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 7.8360 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 8.0850 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 6.5910 0.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 5.8910 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 4.6880 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 6.7340 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.4440 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -2.8380 0.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.8590 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -2.9270 -1.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -3.1370 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -4.5150 -3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -4.6210 -3.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -4.5360 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -3.1640 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5200 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.9400 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 3.7700 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 8.6090 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 9.0730 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 7.6930 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 6.3830 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -2.3640 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -3.0980 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -4.6340 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -5.2920 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -4.6700 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -5.3120 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -3.1430 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -2.3940 -3.0750 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END