IBS-ZINC06661895 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.1510 1.8880 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 0.3690 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 0.0120 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.3230 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -1.8550 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -2.5390 -0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1600 -2.2180 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -4.0820 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -4.6020 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -6.7360 2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -8.2670 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -10.3670 3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -8.8570 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -2.1300 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -1.5250 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -1.1380 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 -1.3550 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -1.9580 -3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -2.3450 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -0.8780 -4.8160 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 2.3970 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 2.1700 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 2.2640 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 0.0560 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 0.2330 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.0490 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 0.5800 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -0.0430 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 0.0580 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.1390 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -2.2200 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -4.5150 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -4.4470 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -4.3270 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -4.2610 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -6.3540 3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -6.4010 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -8.5070 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -8.6270 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -10.8990 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -10.4620 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -10.8740 4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -7.8170 4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -9.2780 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -9.3880 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -1.3460 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -0.6670 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -2.1270 -4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -2.8140 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -6.1010 1.2210 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0010 -6.3980 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -6.4530 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -8.9530 3.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 50 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 53 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 53 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END