IBS-ZINC05055182 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -1.9050 1.7620 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 0.2780 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -0.4870 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -1.8340 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -2.6360 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -4.0050 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -4.5780 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -3.7750 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -2.4070 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -5.9660 -0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -6.8100 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -6.2920 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -7.0720 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -8.4480 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -8.9550 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -8.1140 -0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -10.3190 -0.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -10.8310 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -11.9490 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -12.4520 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -11.8430 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -10.7290 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -10.2260 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -12.4780 -0.8490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -9.3500 -0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7720 -9.8210 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -9.6200 -1.0530 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6530 -6.5220 0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 2.3450 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 1.9160 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 2.0820 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -0.0420 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 0.1240 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -2.1900 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.6290 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -4.2210 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -1.7830 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -6.3370 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -10.9180 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -12.4240 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -13.3210 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 -10.2560 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -9.3590 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -5.5630 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -7.0970 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END