PUBCHEM-ZINC04313625 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 2.1360 1.2180 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -0.1590 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.7550 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 0.0280 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 1.4110 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 2.0070 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 3.3990 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 4.2280 0.6460 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8700 3.6990 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 5.5450 -0.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0040 6.0560 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 6.4310 0.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0380 5.9420 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 6.6480 1.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6940 7.2310 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 5.2880 2.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7610 4.7720 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 4.5020 2.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 5.4930 4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 4.2340 4.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 7.3480 2.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 7.6920 -0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 5.2770 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -0.5750 0.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.2300 0.1480 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6550 -2.9210 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -2.7530 -0.2000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0650 1.6810 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -0.7700 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 2.0220 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 3.8160 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 5.9280 4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 6.1660 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 4.2890 5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 8.2180 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 7.6280 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 4.7160 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -1.5360 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -0.0340 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 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 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 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