IBS-ZINC05343087 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.0010 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -0.6970 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -2.0770 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.7710 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -2.0720 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -0.6910 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 0.0680 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1690 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -4.8480 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -4.2480 2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -6.3130 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -7.1440 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -8.4450 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -8.3470 0.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -7.1210 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -6.8150 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -9.6990 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -9.6550 3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -10.8260 4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -12.0420 3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -12.0960 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -10.9300 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -10.9820 0.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -10.7700 6.3090 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 1.8540 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 1.8740 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 1.8700 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -0.1570 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -2.6180 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.6080 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 0.2400 2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -0.5110 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 1.0260 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -4.6500 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -6.8560 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -8.7080 4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -12.9540 4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -13.0480 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -10.9200 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 M END