IBS-ZINC02205803 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -0.1360 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -0.5800 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.3820 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -1.7360 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -1.2940 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -1.8200 -4.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -2.6420 -5.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -3.0280 -6.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.0890 -6.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -4.1330 -7.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 -5.0280 -8.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -4.7950 -9.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -3.6740 -10.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -2.7770 -9.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -2.9980 -8.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -2.3220 -7.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -1.0740 -8.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 0.0980 -7.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 0.6560 -8.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 1.7300 -8.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 2.2470 -6.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 1.6880 -6.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 0.6170 -6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 3.5960 -6.4310 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 0.4880 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -0.3030 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -2.3600 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -1.5730 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -3.5410 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -2.0900 -5.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 -5.9040 -7.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -5.4890 -10.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -3.5030 -11.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -1.9060 -10.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -1.0180 -9.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.0490 -7.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 0.2520 -9.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 2.1660 -8.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 2.0910 -5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 0.1840 -5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 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 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 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 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 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 53 1 0 0 0 0 28 54 1 0 0 0 0 M END