PUBCHEM-ZINC06268577 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -2.0560 0.5060 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -0.9330 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -1.9190 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -3.2620 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -3.5840 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -2.6690 -3.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -1.3510 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -0.3610 -3.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5350 0.6180 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -0.5350 -5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 0.5190 -5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 0.3720 -6.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 1.4150 -7.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 1.2340 -8.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 0.0150 -9.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 -1.0180 -8.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -0.8630 -7.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -1.8840 -7.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -1.7090 -5.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.4820 -4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.2510 -4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -0.2080 -5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 1.1000 -4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.9430 -4.8220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4280 0.6480 -5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 2.2950 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 2.4620 -3.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 3.3870 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 0.9570 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 1.0650 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 0.6070 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -1.6470 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -4.0320 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -4.6180 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 1.4690 -5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 2.3740 -6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 2.0400 -9.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -0.1360 -10.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -1.9690 -9.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -2.5950 -5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.8690 -5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -2.1860 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -0.9330 -3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -2.1940 -4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -0.0470 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -0.5660 -6.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 1.5180 -3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 1.8290 -5.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.1860 -3.8500 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6180 0.1550 -2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 3.1710 -5.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 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 10 1 0 0 0 0 8 49 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 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 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 26 27 1 0 0 0 0 26 51 2 0 0 0 0 27 28 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END