PUBCHEM-ZINC05751653 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 1 0 0 0 0 0999 V2000 -0.4190 1.4360 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -0.0780 -0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4380 -0.4190 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.5250 0.9920 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5980 -0.1160 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.0350 1.3240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3540 -2.5590 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -1.5990 2.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -0.3590 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.5260 3.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -2.4910 3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -3.4200 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -3.0970 1.2970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -4.7790 3.7880 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 -4.1230 4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -5.2580 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 -4.6990 4.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4970 -5.5990 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -6.8150 4.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6570 -4.9460 5.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -2.3600 5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -2.4980 5.4910 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.6760 -1.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -0.3640 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 1.7890 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 1.7510 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 1.9370 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -3.6200 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -3.3730 4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 -5.7620 5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -5.9850 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6590 -3.9380 5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 -5.4700 5.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -2.1220 5.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 2 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 22 -1 M END