PUBCHEM-ZINC00120538 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.9400 -1.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 0.0400 -2.1410 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3470 0.8780 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -0.9240 -3.5660 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -2.1780 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -2.0440 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -2.8970 -1.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 0.5240 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 -0.3100 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6490 0.1310 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 1.4140 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6170 2.2490 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 1.8000 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1520 3.6170 -0.8100 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6810 4.3500 -1.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0640 4.0100 -0.1040 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -1.9380 -4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -3.1780 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -1.3080 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0640 -0.5210 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 2.4490 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1710 1.8500 1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 1.6720 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END