PUBCHEM-ZINC00114359 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.1530 -0.6040 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.9570 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -2.6040 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -3.9790 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -4.7340 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -4.1200 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.7290 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -2.0180 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -2.6220 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -0.6650 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 0.0940 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 0.3540 -1.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -0.4950 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -0.3560 -3.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -1.2610 -3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -2.2070 -2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -1.8810 -1.2200 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -2.0270 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -4.4770 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -5.8130 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -4.7120 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -0.4810 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 1.0410 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 1.1200 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -1.2370 -4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -3.0320 -2.8350 H 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 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 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 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 M END