PUBCHEM-ZINC00982717 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.5580 1.0840 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -0.1690 -0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 0.0390 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 0.1070 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 1.1620 2.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.1220 2.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -1.4430 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -0.5390 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 -0.9350 4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 -2.2430 4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -3.1600 3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -2.7550 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 -2.7530 5.6350 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4430 -4.2000 5.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -2.0280 6.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9630 -2.3050 4.9040 N 0 5 0 0 0 0 0 0 0 0 0 0 -8.0060 -2.8330 4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -1.5720 -1.0040 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -2.6590 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -1.6540 -2.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -1.3260 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -1.9330 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -1.7990 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -1.0760 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -0.4930 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.6180 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 0.1500 -3.4310 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -2.5300 1.1440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 1.5810 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 0.8970 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 1.7630 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.7690 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 0.9650 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -1.8700 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 0.4840 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -0.2280 5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -4.1810 3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -3.4820 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -2.5130 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -0.9660 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 0.0630 -2.9030 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 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 16 -1 M END