PUBCHEM-ZINC04095708 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 22 0 0 1 0 0 0 0 0999 V2000 -0.0520 1.5610 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.0370 -0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9830 -0.3640 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5100 1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6690 -0.1170 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.0510 1.2860 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0150 -2.4500 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -2.5980 2.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2070 -2.2410 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -4.1410 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -4.7280 2.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -2.2750 2.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -2.4660 1.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -3.4450 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -0.0650 2.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -0.7480 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -0.3660 -1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.0760 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 2.0040 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 1.9250 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 1.9320 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -3.1530 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.5800 2.2040 O 0 5 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 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 M CHG 1 23 -1 M END