PUBCHEM-ZINC06514595 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 1.1660 2.8520 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 3.6630 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 3.1280 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 1.7740 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 0.9640 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.5060 -2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 1.2400 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 1.9170 0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 0.0070 -0.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -0.7370 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -2.0070 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -3.0030 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 -3.3630 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 -4.3460 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1160 -4.9850 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -4.6360 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2670 -3.6460 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 -3.3640 1.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 -0.1410 0.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0160 -0.8440 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9290 1.9140 1.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4360 2.8820 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 1.1600 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 1.5100 3.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 -0.0040 1.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 2.1050 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1370 3.0210 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 3.0170 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2230 1.9360 0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 3.2710 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 4.7140 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.7630 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -0.0770 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 0.8820 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -0.4180 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -2.4000 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 -2.8780 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7400 -4.6160 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 -5.7550 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -5.1340 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -2.5240 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 2.5340 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 1.1260 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0280 2.6820 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 4.0390 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 1.1090 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 0.9250 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0660 4.0930 1.4230 O 0 5 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 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 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 48 -1 M END