PUBCHEM-ZINC06308600 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.7800 1.4380 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.0680 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -0.3010 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -1.7320 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -2.6710 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -3.8580 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -3.6370 -0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -2.2870 -0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -5.2210 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -6.0150 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -7.4240 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -7.7640 0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -8.3920 -2.0790 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9090 -8.3540 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -9.2850 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -10.2210 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -10.8440 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -9.7830 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -10.0500 -1.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -7.5040 -3.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -7.4130 -4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -6.5480 -5.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -7.1960 -6.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -2.3230 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -3.1450 -0.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -0.8390 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -0.5140 -3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 2.0160 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 1.6510 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 1.8090 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 0.0270 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.2790 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -5.7700 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -5.1390 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -5.5210 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -6.0840 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -8.6870 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 -9.8900 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -9.6740 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -11.0090 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -11.5210 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -11.4140 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -8.0750 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -8.4010 -4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -6.9490 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -0.3820 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -0.7720 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 0.0340 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -1.5820 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -0.3230 -3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -5.2960 -5.4500 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M CHG 1 51 -1 M END