IBS-ZINC05052011 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.8090 0.7310 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 0.3300 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 2.6140 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 3.4310 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 4.8460 -0.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 5.8600 -1.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5030 5.5470 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 7.1170 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 6.7980 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 5.3410 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 4.7340 1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 7.5260 1.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 8.3170 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 9.3420 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 8.6610 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 9.2800 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 9.6470 -4.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 9.4160 -3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 8.8120 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 8.4280 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 8.5500 -2.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 9.0450 -3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 5.9860 -2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 5.8500 -3.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 6.0000 -5.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 6.2840 -5.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 6.4120 -4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 6.2640 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 6.4800 -7.2040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -0.3540 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 1.0380 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 1.2160 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.5800 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.7320 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 0.5860 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 2.9120 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 2.7570 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 3.3180 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 3.0810 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 10.1210 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 9.4770 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 10.1210 -4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 9.7230 -4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 7.9690 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 8.5530 -4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 10.1340 -3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 8.8060 -3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 5.6480 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 5.9060 -6.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 6.6350 -4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 6.3760 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 1.1270 -0.3480 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5210 0.8740 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 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 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END