PUBCHEM-ZINC06912316 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 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 0.0230 -0.7080 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1150 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7780 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1380 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.7200 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.0560 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.7790 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.1720 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.8490 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8100 2.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.1000 2.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.7840 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -6.2510 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -7.3180 2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -8.6110 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -8.8500 4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -7.8020 5.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -6.4910 4.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -5.2660 5.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -5.1480 6.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -4.2530 4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.9350 5.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -9.7480 2.2510 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1400 -9.5410 1.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -10.8910 2.6710 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 0.0250 -0.1880 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 1.0230 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.2660 -4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.7230 -4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -3.9290 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -7.1340 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -9.8660 4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -7.9990 6.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -2.5600 5.1370 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END