IBS-ZINC05026455 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0250 0.7510 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.6910 -0.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -1.2280 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -2.5730 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -3.5320 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -4.7440 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.9360 -1.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -1.5450 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -1.1150 -3.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -3.8080 -2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -2.7000 2.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -1.4150 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.5150 1.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -1.1710 3.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 0.2100 4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 0.2900 5.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -3.9470 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -4.3140 3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -4.7990 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -5.1550 2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -5.0370 4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -4.5670 5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -4.2100 4.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -3.6530 5.8830 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 -5.4770 4.6940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 1.1580 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0290 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 1.1820 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -3.5870 -3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -3.5990 -3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -4.8680 -2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.9160 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 0.7540 3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 0.7040 4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -0.1910 6.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -0.1720 6.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -4.7480 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -3.8410 3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -4.9190 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -5.5280 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -4.4850 6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 1.7050 6.3110 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6370 1.7530 7.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 2.2010 6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 2.2400 5.8210 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 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 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 10 1 0 0 0 0 8 9 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 42 1 M END