PUBCHEM-ZINC06308546 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.0410 1.4920 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.0280 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.3650 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -1.8090 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -2.6920 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -3.9220 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -3.7830 1.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.4390 1.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -5.2470 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -5.9390 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -7.1050 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -6.8270 -2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -7.2690 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -6.5170 -0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -8.6640 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -9.3980 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -8.4690 -3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -7.3790 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -6.9310 -4.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -8.3110 -0.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -8.7170 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -9.2460 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -8.3540 2.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -2.2660 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -3.0470 -1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -0.7560 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -0.4240 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 2.0420 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 1.7770 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 1.8290 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0750 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.1890 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -5.8870 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -5.1080 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -5.2430 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -6.2650 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -9.2410 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -8.5600 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -9.8390 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -10.2320 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -9.0350 -4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -8.0040 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -5.7430 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -9.5140 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -7.9240 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -0.3370 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -0.6040 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 0.1000 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4980 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.1660 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -10.5050 1.6580 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 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 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