PUBCHEM-ZINC04104317 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 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 4.2230 -0.9950 -1.7530 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -1.9270 -2.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 0.2320 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 -1.8010 -1.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7040 -3.1400 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 -3.8050 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 -5.1440 -0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 -5.9490 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -7.2190 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3680 -8.0120 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4480 -7.5430 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4120 -6.2790 -1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2940 -5.4830 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 -8.3950 -1.4540 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6780 -9.5080 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5960 -7.9830 -2.0940 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 6.4810 -1.3860 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 -3.0630 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -3.7410 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -3.8820 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 -3.2040 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 -5.4720 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -7.5860 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -9.0000 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 -5.9150 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 -4.4970 -2.1170 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 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 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 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END