IBS-ZINC02229739 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -0.7340 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -0.5210 -2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -1.2430 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -1.5060 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -1.9620 -2.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -2.1680 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -1.9310 0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -1.4730 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -1.2110 1.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -1.3640 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -0.7510 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5370 2.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5340 -2.7770 -0.8170 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 -2.9100 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3450 -3.4280 -2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4050 -2.5420 -2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6950 -3.0160 -2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9270 -4.3770 -3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8690 -5.2640 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5760 -4.7890 -2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2450 -5.9010 -2.7500 Cl 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -1.3400 -3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 -1.9280 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2430 -3.5980 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2240 -1.4790 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5230 -2.3240 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9360 -4.7470 -3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0500 -6.3260 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 M END