PUBCHEM-ZINC04085833 MOE2007 3D CORINA 3.40 0006 02.08.2006 18 18 0 0 0 0 0 0 0 0999 V2000 -0.2760 1.4430 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -0.0130 0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.5570 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -1.8490 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -2.6970 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -2.1950 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.8050 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -0.3190 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -3.1060 -0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0410 -4.3100 0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -2.6510 -0.0920 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4660 -4.0600 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 1.9130 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 1.7670 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 1.7330 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 0.0940 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -4.4070 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -4.6710 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END