PUBCHEM-ZINC06546009 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8260 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -2.1080 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.0930 -0.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7640 -1.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -3.3220 -1.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5360 -3.1840 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.5460 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -3.3860 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -3.4760 2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -4.7170 3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -5.8590 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -5.7790 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -3.6460 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -3.3280 -3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -3.6260 -3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -4.2420 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -4.5600 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -4.2580 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -4.5620 -2.8980 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9030 -4.2820 -4.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -5.1040 -2.0920 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.4940 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -2.5850 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -4.7950 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -6.8230 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -6.6770 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -2.8470 -3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -3.3780 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0410 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -4.5020 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -4.4220 -0.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -5.0730 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 31 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 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END