PUBCHEM-ZINC05167462 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2840 -2.5140 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -2.6900 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.0960 2.3290 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -2.7970 2.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -3.5880 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 -4.1360 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4900 -3.8970 3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 -3.1110 4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 -2.5650 4.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -1.7280 5.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1560 -1.5240 6.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -1.2420 4.7160 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0190 -2.6520 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -1.8600 -2.3290 O 0 0 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 -3.2830 -2.3350 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -3.7800 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 -3.7750 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -4.7510 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 -4.3260 4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -2.9260 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -3.9700 -1.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -4.2380 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END