PUBCHEM-ZINC03662377 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 0 0 0 0 0 0999 V2000 -1.3050 -2.7980 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -2.9110 -1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -1.5830 -2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -1.6420 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -0.8170 -3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 0.6940 -2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 1.4140 -3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.8740 -3.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 3.6210 -4.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 3.8840 -5.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 4.7270 -6.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 4.5160 -7.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 3.5650 -7.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 3.1730 -6.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 3.4930 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 2.6680 -1.8540 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 4.8450 -2.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 5.9180 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 7.1340 -1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 8.2460 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 8.1560 -2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 6.9550 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 5.8440 -2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 6.8260 -2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 9.5670 -1.9040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -2.3060 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -2.2350 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -3.7960 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -3.4970 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -3.3870 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -0.6760 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -2.4510 -3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -0.7720 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -2.5430 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -1.6430 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -1.1470 -2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -1.1380 -4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.9560 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 1.0440 -3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 1.2110 -4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 1.0180 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 4.5700 -4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 3.0270 -4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 5.4070 -5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 4.9990 -8.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 3.0860 -8.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 5.1010 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 7.2320 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 9.1800 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 4.9300 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 7.5150 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 5.8140 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3410 7.0370 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -1.5280 -2.1110 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2930 -0.9710 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 54 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 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 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END