PUBCHEM-ZINC06202041 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 0.2450 1.4850 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.0360 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9040 -0.3410 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.5910 1.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7870 -0.4210 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -2.1200 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.6840 2.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -2.8290 0.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -3.8390 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -2.3350 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.0020 2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.3570 3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 0.3520 3.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 0.7640 4.8140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8070 1.5110 4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -0.4810 5.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -0.0360 6.9940 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -1.6130 7.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -2.7920 7.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -1.3960 8.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -1.8940 6.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -0.5870 -1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -0.1770 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 1.8440 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 1.9730 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 0.0790 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.9070 4.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -1.2350 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -2.5860 8.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -3.6910 7.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -3.0490 6.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -0.5650 8.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -2.2900 9.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -1.1920 9.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -2.1150 5.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -2.7670 6.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -1.0500 6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 1.4290 5.8320 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3830 1.4420 6.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 2.3910 5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 0.9130 5.8910 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 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 1 39 1 M END