PUBCHEM-ZINC05856200 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8440 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5710 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.3760 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -3.8340 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -4.1890 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -3.3980 -0.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -1.9610 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -1.5140 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 -3.8080 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -3.7460 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 -4.1520 -4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0830 -4.6310 -3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4180 -4.7370 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 -4.3190 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0300 -4.5470 -0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1340 -4.9980 -0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4280 -5.1260 -1.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0590 -5.0430 -4.8040 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.7700 -4.9520 -5.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1500 -5.4740 -4.4760 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -4.3300 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -4.1520 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -3.9650 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -5.2500 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 -1.7680 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -1.4060 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -1.6140 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -0.4760 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 -3.3730 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -4.0810 -5.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END