PUBCHEM-ZINC03619331 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -0.7750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -2.5540 -0.0030 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -3.2790 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -2.4700 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -3.0420 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -4.4180 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -5.2270 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -4.6620 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -5.5280 -0.0260 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6060 -6.7400 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -5.0290 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.4140 -5.0280 0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4030 -4.3170 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -6.2400 0.0310 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -0.5240 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.5150 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -1.3950 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -2.4140 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -6.3010 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 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 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 15 1 M CHG 1 17 -1 M END