PUBCHEM-ZINC04529685 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8060 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -0.3340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 0.9630 0.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -1.6060 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -1.8800 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -1.9670 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -1.8150 -2.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -2.7160 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -3.1040 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -2.5140 2.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1830 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1670 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1570 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -2.8250 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -1.0770 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -3.5690 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.4070 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4170 -2.2120 -1.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -4.1040 1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -4.3170 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 -2.2580 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 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 9 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 M END