PUBCHEM-ZINC04687391 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.2040 1.4160 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.1090 -0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0660 -0.5610 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.5780 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -2.0200 1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -2.3280 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -1.9310 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.5240 -1.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 0.5640 -2.5010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 1.8160 -1.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.0510 -3.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 0.7380 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 1.7890 -3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 1.9250 -3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 1.0110 -4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -0.0400 -5.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -0.1740 -4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -2.5170 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -2.0180 2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -2.5100 3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -3.4990 4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -3.9990 4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -3.5060 2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -4.1280 2.4380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -4.0250 5.6900 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5630 -3.5860 6.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -4.8960 6.3440 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7870 1.8630 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 1.7560 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 1.7140 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -0.0440 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.3760 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -1.7700 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -3.3960 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -2.0500 -2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -2.5610 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 2.5040 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 2.7460 -3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 1.1170 -5.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -0.7550 -5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -0.9920 -4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -1.2460 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -2.1230 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -4.7710 4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 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 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 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 44 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END