PUBCHEM-ZINC05889652 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.2420 1.8980 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 0.5000 0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.2850 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 0.1690 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -0.7170 3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -2.0730 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -2.5520 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -1.6500 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -3.9140 1.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -4.2680 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -3.1980 3.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -3.2230 4.6140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6950 -2.4990 5.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -2.8690 4.4630 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7500 -1.7810 4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -3.5420 5.7360 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1280 -2.8510 6.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -4.7750 5.9500 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7240 -5.6660 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -4.4910 5.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 -5.0500 7.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -6.3490 7.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -6.9320 9.2220 P 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -7.1010 9.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 -3.8900 5.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -3.9160 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 -3.4430 3.4160 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7680 2.3220 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 2.3750 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 2.1170 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 1.2220 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -0.3590 4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.0140 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -5.2720 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -4.9690 7.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -4.3190 7.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -5.8520 10.1020 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9610 -8.2450 9.2040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 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 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 37 -1 M CHG 1 38 -1 M END