PUBCHEM-ZINC06857076 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 0.7800 1.1600 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.0530 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -0.0040 0.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.1360 -1.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -2.4370 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.8520 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -4.1380 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -5.0380 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -4.6490 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -3.3590 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -2.9900 -3.8250 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.9950 -4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -1.5360 -5.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -0.7210 -4.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 0.9580 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 1.4260 -2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 2.0070 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.9630 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.1960 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -4.4320 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -6.0370 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -5.3600 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -3.3710 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -3.6270 -5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -1.3180 -6.3740 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 M CHG 1 25 -1 M END