PUBCHEM-ZINC04670897 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.2150 1.1820 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.1490 0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -0.5780 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 0.1540 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -0.3770 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -1.6530 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.3900 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -1.8640 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -2.5430 -0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -3.9190 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -4.2900 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -5.5240 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -5.8490 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -4.9230 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -3.7270 -1.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -3.4410 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -5.2480 -3.3180 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 0.4050 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 1.0340 6.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 1.1640 7.3990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5840 0.1930 7.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 2.2180 8.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 1.8430 9.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 2.8110 10.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 4.1650 10.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 4.5520 9.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 3.5860 8.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 1.4500 6.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 1.9080 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.3690 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 1.3080 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 1.1460 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -2.0840 3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -3.3640 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -4.5190 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -4.1260 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -6.2370 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -6.7990 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -2.4700 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 0.0590 4.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 1.4710 4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 2.0130 6.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 0.4980 7.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 0.7930 10.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 2.5100 11.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 4.9170 11.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 5.6070 8.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 3.9130 7.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 1.8480 6.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 0.2690 5.3820 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9810 0.6280 5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -0.7250 5.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 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