PUBCHEM-ZINC03661653 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 0.1180 1.4840 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -0.0030 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -0.7730 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -2.1540 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -2.7590 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -2.0460 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -0.6620 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 0.2540 -2.6000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -2.7230 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -4.1870 0.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0330 -4.5700 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -4.9120 -0.1860 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0670 -0.1230 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -0.2020 3.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 0.3050 4.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.5290 5.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 2.0990 6.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 1.4390 7.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.2180 6.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.3790 5.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -1.7180 5.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -2.2720 4.1730 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5790 2.0190 8.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.6960 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 2.0220 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 1.9080 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -2.1870 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -2.7580 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -3.7480 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 0.4010 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 2.0350 4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 3.0460 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -0.2970 7.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.4340 8.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -2.9560 2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -2.2110 6.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -2.5550 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 30 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 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 2 0 0 0 0 23 34 1 0 0 0 0 35 37 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 22 -1 M END