PUBCHEM-ZINC05997271 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 4.6110 0.5300 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.9450 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -1.0460 -0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -2.2980 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -2.4680 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -3.7390 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -4.8470 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -4.6760 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 -3.4050 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -6.1390 1.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -7.0410 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -6.8920 -0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -8.2410 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -9.4100 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -9.5140 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -10.6760 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -10.7690 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -9.7120 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -8.5560 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -8.4540 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -7.4340 -2.3040 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6020 -6.4200 -1.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -7.5240 -3.3440 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8360 -7.9200 2.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -6.6640 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -5.8440 3.6790 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -8.7960 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 1.0240 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 0.6070 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 1.0100 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -1.4390 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 -1.4240 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -1.6060 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -3.8720 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -5.5380 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 -3.2720 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -10.2620 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -11.4980 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -11.6650 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -7.5580 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -9.3740 3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -8.1920 4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -9.4750 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -9.8080 -3.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -10.1810 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 37 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END