PUBCHEM-ZINC00439625 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 -2.7620 0.8240 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -0.5250 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -1.1080 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -2.3420 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -3.0040 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -2.4090 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -1.1760 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -0.5460 -2.4510 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0660 -1.2350 -3.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 0.6600 -2.5730 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2400 -4.3230 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -4.7920 1.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -3.9340 2.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -4.0620 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -3.0510 4.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -2.3050 3.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -2.8010 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 1.6070 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 0.9030 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 0.9370 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -0.5960 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -2.7960 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -2.9140 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.8990 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -4.8510 4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -2.3900 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 26 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END