PUBCHEM-ZINC05041776 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0880 1.3520 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -0.0550 0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.6750 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 0.0550 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -0.5770 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9370 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -2.6720 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -2.0440 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -2.7860 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -3.9570 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -4.5950 1.3790 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -4.6250 0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -5.8850 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -6.6180 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -7.8670 1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -8.3430 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -7.5610 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -6.3710 1.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -9.9040 3.2240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.2050 -0.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8430 1.4030 0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 -0.3490 -0.2490 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9220 1.7200 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.8600 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 1.5490 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 1.1170 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -2.4260 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -3.7340 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -2.4570 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -4.2290 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -6.2170 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -8.4580 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -7.9260 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END