IBS-ZINC04652795 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.8140 1.8320 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 0.3250 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -0.4290 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.9780 1.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2380 -2.3020 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -2.4000 -0.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6710 -2.1380 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -4.6250 0.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1760 -4.2150 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -4.2670 2.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8400 -4.7150 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -2.7200 2.4370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5830 -2.3070 3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -2.3620 2.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -4.8640 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -6.1180 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -6.7810 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -8.1540 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -8.8830 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -8.2500 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -6.8750 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -10.5730 0.2590 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.8070 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -1.1410 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.6050 -3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.7330 -3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -1.3940 -3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -1.9320 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -0.0710 -5.3620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 2.1490 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 2.3560 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 2.1430 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 0.0570 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 0.0740 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.1850 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -0.0250 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -2.3690 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -2.9440 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -1.2850 4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -2.4960 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -5.9560 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -4.6260 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -4.5040 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 -6.2340 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -8.6440 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -8.8210 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -6.4290 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -1.0220 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -0.0880 -4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -1.4930 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -2.4360 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.9030 -0.2020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6420 -4.2180 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -4.1610 -1.0280 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 52 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 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 52 54 1 0 0 0 0 M CHG 1 52 1 M END