PUBCHEM-ZINC06007601 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.4570 1.5530 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 0.1160 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7980 0.0080 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.2660 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.6750 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -1.0380 2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -1.0030 3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -0.6040 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.2380 2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -0.9410 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -1.5820 -1.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7710 -2.6440 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -1.4090 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -2.0920 -2.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -2.1420 -4.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 -2.9160 -3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5880 -3.0590 -5.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 -2.4170 -6.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 -1.6360 -6.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -1.5010 -5.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2030 -2.5620 -7.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2140 -3.2640 -7.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 -1.9760 -8.4800 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.9460 -0.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -1.2120 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 2.2510 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.8560 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 1.6870 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -0.7100 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -1.3470 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -1.2840 4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.5740 4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 0.0740 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -1.5350 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 0.0730 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -0.3440 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -1.8450 -3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9400 -3.4160 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4810 -3.6690 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -1.1270 -7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 -0.8840 -5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -0.8240 -0.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8280 -1.7570 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -0.5550 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 42 1 M END