PUBCHEM-ZINC06734294 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.1760 0.2710 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 2.7530 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 3.2010 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 3.5910 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 3.9980 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 4.0210 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 3.6380 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 3.2300 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 1.1770 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 1.9300 0.4920 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0210 2.9990 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 1.3600 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 2.1870 -0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 1.9330 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 2.8840 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3970 2.7520 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1010 1.6510 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4530 0.6880 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 0.8320 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5290 1.5030 -1.7350 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.0650 2.3730 -2.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1150 0.5150 -1.2680 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2300 1.8150 -0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 2.1190 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 0.1610 2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 0.4570 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -0.6250 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 2.6480 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 3.5130 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 3.5900 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 4.3010 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 4.3400 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 3.6600 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 2.9380 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 1.4820 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 0.0980 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 0.3360 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 1.3820 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4880 3.7410 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8790 3.5110 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9850 -0.1770 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 0.0640 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.4320 1.2830 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6800 1.5140 0.2450 H 0 0 0 0 0 0 0 0 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 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 43 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 43 1 M END