PUBCHEM-ZINC01146768 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 0 0 0 0 0 0999 V2000 -0.5280 1.7730 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 0.4730 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -0.1840 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 0.1170 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -0.4820 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -1.3890 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -1.6890 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -1.0900 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 -1.9970 0.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -2.8210 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -4.2240 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 -4.5080 0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7310 -5.1640 -1.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -6.4930 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -6.9340 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -8.2440 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -9.1190 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -8.6870 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -7.3760 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -6.9510 -3.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -7.9110 -4.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -8.7130 1.3430 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4700 -7.9440 2.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -9.8680 1.5320 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5910 -1.7860 1.4310 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 -2.9300 1.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 -1.3820 2.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6320 -0.4160 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8320 -0.6200 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6490 0.4550 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2660 1.7340 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 1.9380 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 0.8630 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 2.2480 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 2.4450 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 1.5520 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 0.6930 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.2000 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 0.8220 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -0.2470 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -2.3930 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -1.3260 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 -2.8400 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 -2.4000 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 -4.9210 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -6.2530 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -10.1420 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -9.3720 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -7.4430 -5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -8.2800 -4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -8.7430 -4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1320 -1.6190 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5870 0.2960 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9040 2.5740 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7660 2.9380 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 1.0220 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 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 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END