PUBCHEM-ZINC04739960 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1620 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4500 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -1.8280 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.6030 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -1.9900 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -3.9960 -2.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -4.7450 -2.7110 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -6.1420 -2.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -4.0800 -3.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -4.4100 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -5.2660 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -5.0030 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -3.8840 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -3.0280 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -3.2940 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 -1.8300 -0.6120 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3250 -1.5980 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -1.0760 -1.5640 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.2400 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 0.1510 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -2.3040 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -2.5900 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -4.5250 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -6.1400 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -5.6710 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4810 -3.6780 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -2.6280 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 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 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END