PUBCHEM-ZINC06018930 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 0 0 0 0 0999 V2000 0.2260 1.2800 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.1330 1.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6020 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 0.1510 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -0.4890 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -1.9010 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -2.6440 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -1.9900 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -2.7280 1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -4.0300 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -4.7000 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -4.0370 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -2.5990 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -1.9340 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 -2.5790 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 -3.9370 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2910 -4.6800 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -6.1510 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -6.6440 -1.1930 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.4450 -1.7410 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8170 -0.4700 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 -0.5780 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -6.1140 0.9760 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6050 -6.4780 1.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -6.8060 0.4980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2700 1.4950 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.6780 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 1.7710 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 1.2340 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 0.1710 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -2.0660 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -4.6010 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3910 -4.4280 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 0.1300 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 0.0470 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 -6.7510 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 19 -1 M CHG 1 23 1 M CHG 1 25 -1 M END