PUBCHEM-ZINC03748196 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 30 0 0 0 0 0 0 0 0999 V2000 -0.1220 1.2390 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.1770 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.6930 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 0.0540 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -0.5610 3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -1.9530 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -2.7310 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -2.0850 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -3.0100 0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -4.2370 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -4.1230 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -5.4730 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -5.5930 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -6.9460 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -7.5470 -0.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -8.5440 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -6.6690 0.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -7.6830 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -7.0270 -3.2430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8730 1.6880 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 1.4790 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.6610 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 1.1400 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 0.0560 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -2.4160 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -4.9410 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -4.8120 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -8.9480 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 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 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 25 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 26 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 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 28 2 0 0 0 0 M CHG 1 19 -1 M END