PUBCHEM-ZINC04533777 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 -0.0020 1.5460 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.0160 0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0170 -0.3540 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.4910 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -1.1810 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -0.1780 2.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -0.6710 3.6410 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3860 -1.6660 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 0.2780 3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.7370 4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.4060 4.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -1.1650 6.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -1.2300 7.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1770 -0.4050 7.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -2.5580 7.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.1280 8.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -1.0120 8.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.1640 9.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -1.1670 10.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -0.4480 10.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -0.4530 12.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -1.1730 13.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -1.8900 13.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -1.8840 11.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -1.1770 14.4450 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5990 -0.5460 14.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.8100 15.4010 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0230 1.9160 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.9120 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 1.8990 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 0.3730 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -0.0890 4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 0.3260 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 1.2730 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -1.4310 6.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -3.3830 7.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -2.6060 7.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -2.6320 6.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.1890 9.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 0.1140 10.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 0.1050 12.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -2.4510 13.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -2.4400 11.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -1.4660 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.4600 -1.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.1330 -2.0370 H 0 0 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 2 4 1 0 0 0 0 2 45 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 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 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END