PUBCHEM-ZINC05967775 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 0.7110 -0.4890 1.1890 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1330 -0.7650 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.6950 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -1.0500 4.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.4820 5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -1.5580 4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -1.2010 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -1.1640 2.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -1.4060 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -0.7270 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -0.5430 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -1.8750 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -1.6870 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -2.9630 -2.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -3.0390 -3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -2.0480 -3.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -4.3150 -4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -4.5180 -5.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -5.8140 -5.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -6.6460 -5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -5.8310 -3.7940 S 0 0 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 -1.0200 -0.3810 0.0100 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 -1.9730 -0.3610 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -0.9950 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -1.7590 6.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -1.8930 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 0.1990 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -0.2020 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -2.6160 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -2.2150 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -0.9460 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -1.3470 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 -3.7520 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 -3.7370 -5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 -6.1380 -6.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -7.6940 -5.3010 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 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 M CHG 1 3 1 M END