PUBCHEM-ZINC05503527 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0240 1.5290 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0010 -0.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5070 -0.3670 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -0.5320 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -1.9960 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -2.7010 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -4.0630 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -4.7510 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -5.9710 -0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -4.0620 0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -2.7490 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -2.0470 0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -1.0800 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 -2.0780 0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -4.8040 -0.2280 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2560 -4.2110 -0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -6.0080 -0.4160 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6920 -0.4540 1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.9070 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.8750 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.8950 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.1660 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.1860 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.4690 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 -2.5700 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 -1.1100 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -0.1540 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 27 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END