IBS-ZINC05458652 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -2.6270 0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8340 -3.7060 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 -2.2140 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2360 -2.7080 -1.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2410 -3.7880 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8540 -2.0440 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 -1.9700 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -2.2450 1.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -2.0880 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -2.2300 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -1.9840 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -1.6130 5.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2870 -1.4660 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -1.7080 3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4680 -1.6520 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0060 -2.3660 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2190 -3.3310 -3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9250 -3.0180 -4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4170 -1.7380 -4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2040 -0.7720 -3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5020 -1.0880 -2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3030 -1.3440 -6.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -1.1280 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -2.6530 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7510 -1.6790 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -2.5190 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -2.0850 4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -1.4340 6.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 -1.1760 5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8340 -4.3300 -3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0910 -3.7730 -5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5880 0.2270 -3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 -0.3350 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 25 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END