IFLAB-ZINC05147160 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0820 1.5290 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.0230 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.6680 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -2.0480 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.7450 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -2.0440 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.6640 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.2280 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -5.0220 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.3390 -0.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -7.6070 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -8.6410 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -7.9530 1.2290 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -6.2740 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -5.0220 1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -7.8130 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -7.7900 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -7.6220 -2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -7.9550 -4.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -8.0270 -4.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -7.2740 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -7.3470 -4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -8.1690 -5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -8.9200 -6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -8.8480 -6.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -9.7870 -6.8370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 1.9140 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 1.8840 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.8800 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.1270 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.5870 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.5790 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.1200 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -4.6920 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -9.6880 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -7.0160 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -8.7760 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -8.0240 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -6.6320 -3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 -6.7620 -4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -8.2240 -6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -9.5610 -7.3240 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 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 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 M END