PUBCHEM-ZINC03869692 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 37 0 0 1 0 0 0 0 0999 V2000 -0.0370 1.5180 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 0.0050 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -0.4230 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 0.3300 0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -1.7410 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -2.3840 -0.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8110 -1.8970 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -2.4050 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -0.7630 -2.0710 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -1.2220 -3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -0.3760 -4.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -3.8420 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -4.3790 0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -4.4950 0.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -5.9100 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6090 -6.3930 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 -5.4760 1.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 1.9690 0.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9650 1.3770 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 3.4700 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 4.0000 0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 1.8110 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 2.0440 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -0.5110 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -0.3190 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -2.3340 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 -2.8270 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -3.0460 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -2.2910 -3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -4.0470 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -6.4890 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -6.0390 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 -7.6200 1.4790 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9610 3.9170 -1.3160 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1350 1.7920 1.3660 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8920 1.1060 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 1.7160 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 2.7710 1.4270 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 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 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 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 M CHG 1 33 -1 M CHG 1 34 -1 M CHG 1 35 1 M END