PUBCHEM-ZINC06570354 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 1.4420 0.5850 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -0.5700 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.4640 -0.6600 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8150 0.5000 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -1.6140 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 -0.5670 -0.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 0.1470 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 0.7440 -2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 1.4490 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 1.5500 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 0.9280 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 0.2380 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 1.0130 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 1.0370 -1.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 0.9590 -3.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0080 1.2420 -3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0110 1.9390 -2.5830 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 0.8090 -5.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4440 1.2370 -5.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 2.5180 -5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9790 2.9540 -6.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3840 2.1280 -7.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 0.8500 -7.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 0.3780 -6.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3460 -1.0340 -7.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2550 0.0470 -9.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3510 -0.5960 -9.6720 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5360 0.5940 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 1.5470 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 0.4930 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -1.5060 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -0.5850 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -1.5860 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -1.5740 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -2.5820 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 0.6790 -3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 1.9260 -4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 2.1360 -4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -0.2320 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 0.7010 -4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8430 0.0450 -5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 3.2260 -4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4020 3.9490 -6.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1310 2.4850 -8.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4420 -1.0510 -7.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -1.7140 -7.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1170 -1.4580 -6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4850 0.1030 -9.3670 O 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 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 2 0 0 0 0 M CHG 1 27 -1 M END