PUBCHEM-ZINC05919400 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.6160 2.2590 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.8120 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4300 0.3760 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 0.8440 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 0.4810 2.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 0.0250 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -0.4970 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.2490 -2.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -1.2110 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -1.5270 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -1.0510 1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -2.4450 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 2.8690 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 2.3280 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 2.7120 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -0.1500 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -1.6000 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.6570 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -3.1260 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -3.0520 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -1.8490 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.2290 1.5970 O 0 5 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 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M CHG 1 22 -1 M END