PUBCHEM-ZINC05943333 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 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 0.0220 -0.7710 1.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.0180 0.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.4470 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.0350 -1.4300 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -4.1320 -0.8860 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -5.0120 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -5.3760 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -6.0660 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -6.3930 3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -6.0320 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -5.3490 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -4.9680 0.5770 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6220 -5.2640 1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -4.3600 -0.4780 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1370 -7.1450 4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -8.5210 4.0900 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -6.7910 5.0670 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -6.8220 5.0870 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -5.0250 0.6280 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4560 -5.3440 1.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -4.4160 -0.4270 O 0 5 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 -2.0200 -6.3490 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.2900 2.8910 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 21 1 M CHG 1 23 -1 M END