PUBCHEM-ZINC05887538 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 30 0 0 1 0 0 0 0 0999 V2000 -0.2920 1.6080 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 0.1150 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.6480 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -2.1420 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -2.6690 0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -2.8290 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -2.3210 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -4.2840 0.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7980 -4.7620 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -4.7730 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -5.1280 2.1290 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -4.0440 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -4.6090 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -3.7480 -0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 -5.9220 -0.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 -6.4620 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -7.9760 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -8.4810 -1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 2.1350 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 1.8150 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 2.0180 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.2590 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.0570 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -0.2840 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -0.4870 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -4.0260 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -5.6980 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -6.6290 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 -6.2620 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -5.9270 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 -8.5140 -2.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 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 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 M CHG 1 31 -1 M END