PUBCHEM-ZINC06545595 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 0.0660 0.8460 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.4450 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 1.6760 -1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 2.2300 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 2.5300 -3.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 2.2720 -4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 1.7500 -3.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0140 3.1310 -5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 3.3450 -6.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 3.9760 -7.5850 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 5.2780 -7.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 2.4960 -2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 4.1930 -1.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4930 3.7200 -2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 5.7110 -2.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1900 5.9630 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 6.2150 -3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 6.3290 -0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 3.7010 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 3.1250 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 1.3640 -0.5220 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0530 -0.2410 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.2040 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 1.1410 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 2.5040 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 2.4510 -5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 4.0830 -4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 2.4080 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 1.7700 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 5.6770 -4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 7.2820 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 6.0460 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 6.1480 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 1.5830 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 4.1920 -8.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 2.9740 -8.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 3.8520 -2.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 3.9530 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8250 3.9020 -0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1430 3.5680 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 2.0990 -8.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 4.5700 -9.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 35 42 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 7 1 M CHG 1 21 -1 M END