PUBCHEM-ZINC05431590 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.5410 1.5000 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.0310 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -0.8050 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.0730 0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -2.0760 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -2.9850 0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.6400 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.2420 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 1.1040 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 1.3680 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 2.7160 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 2.8810 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 4.1400 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 5.2470 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 5.0940 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 3.8350 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -3.1820 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -2.9800 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -4.0530 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -5.3430 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -5.5760 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -4.4950 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -6.7340 0.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -7.8360 -0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6400 -6.2930 -0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 -6.8780 1.5690 N 0 5 0 0 0 0 0 0 0 0 0 0 4.3190 -7.1450 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 1.7280 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 1.8570 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 2.0170 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -1.0140 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 1.9230 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 0.5610 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4010 2.0310 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4600 4.2560 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 6.2250 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 5.9540 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 3.7410 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -1.9790 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -3.8790 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -6.5870 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -4.7150 0.3580 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 26 -1 M END