PUBCHEM-ZINC02457543 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 0.3450 0.5550 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.1180 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 0.4940 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.3080 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 1.7500 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.3710 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.9290 -2.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 2.3160 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.5460 -0.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 0.0230 2.3180 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4470 0.4300 3.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -0.7700 2.3510 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.7690 -0.1080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1840 -1.5910 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -1.3240 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -0.9950 -2.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -2.1840 -2.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -2.6320 -3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -3.9980 -3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -3.7960 -4.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -2.2820 -4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -1.6480 -4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -0.8280 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 -0.0250 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 1.2280 0.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 2.0590 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 1.1740 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 1.6050 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 2.6420 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.2560 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 1.6010 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 1.5120 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 3.2300 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.5070 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -2.7030 -3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -4.3280 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -4.7320 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -4.3850 -4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -4.0640 -5.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -2.0660 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -1.9360 -5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -1.5680 -5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.6680 -3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -1.7070 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -1.1410 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -0.6030 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 0.2000 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 2.8590 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 2.4850 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 0.8330 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 1.7470 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 0.9840 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 0.0130 0.3420 N 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 53 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END