IBS-ZINC02223118 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 0.0130 1.5160 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.0060 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -0.6030 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.5390 -0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -1.6660 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -2.1900 -1.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -2.2770 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -3.7760 -1.7370 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -4.2690 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 -3.6480 -0.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 -4.2780 -0.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5610 -5.3390 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 -5.3620 -2.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -6.3550 -2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 -6.3210 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 -7.5790 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2990 -8.4910 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6230 -8.1610 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9540 -6.9150 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9630 -5.9960 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6180 -6.5110 -1.5840 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.9160 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.9410 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 1.7760 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.2660 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -0.2030 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.3430 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -1.6870 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -2.5300 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -1.5640 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -7.2120 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 -6.6820 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -5.9100 -3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -7.8380 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0480 -9.4640 -3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4010 -8.8780 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2210 -5.0260 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 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 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 M END