PUBCHEM-ZINC02706960 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 1.9620 0.6680 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -0.3540 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -0.6750 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -0.1620 0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.6110 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -2.0730 -0.5410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5480 -1.2850 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -3.3790 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -3.1880 1.6050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -3.8590 1.0860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -4.7400 -0.7560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -2.2560 -1.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -1.3180 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 0.2800 -1.5720 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -1.9430 -2.9550 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -1.4390 -3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -0.1280 -4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 0.2580 -5.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7900 -0.6790 -5.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7780 -1.9930 -5.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 -2.3670 -4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 -0.1780 -7.1460 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.1220 -1.0770 -6.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 1.2200 -6.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2900 -0.4040 -8.5520 N 0 5 0 0 0 0 0 0 0 0 0 0 -8.1330 -1.3900 -8.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 0.8740 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 1.6110 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 0.3050 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 0.0270 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -1.2820 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.9920 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -3.1620 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 -2.9520 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 0.6210 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 1.2810 -5.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4810 -2.7210 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 -3.3990 -4.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 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 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 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 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 25 -1 M END