PUBCHEM-ZINC05955657 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.1350 1.0400 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.4560 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -0.8160 -1.6680 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -0.3560 -1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -2.6320 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -3.3190 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -4.8440 -2.5280 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0590 -5.1050 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -5.3350 -3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -5.8500 -4.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -5.4940 -2.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -5.6730 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -5.3090 -0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -6.4020 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 1.5430 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 1.4850 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 1.2500 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.8840 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.9360 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -2.8800 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.9170 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -3.0760 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -2.9020 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -5.8470 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -6.1560 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -7.4790 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -6.1110 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -5.1760 -3.7130 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 1 0 0 0 0 2 18 1 0 0 0 0 2 19 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 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M CHG 1 28 -1 M END