PUBCHEM-ZINC03873832 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 0 0 0 0 0 0999 V2000 1.6830 -1.8570 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -3.2000 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -3.0210 -1.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.9700 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -4.3590 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -2.9070 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -2.9440 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -2.8300 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -2.6660 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -2.6160 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -2.7420 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -2.4880 3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -3.4930 4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -4.8500 4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -5.8840 4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -5.5940 5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -6.3900 5.9330 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5570 -7.6090 5.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -8.8300 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4590 -6.1240 6.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4680 -5.1600 6.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -4.3160 6.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -3.3070 5.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -1.1980 3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -0.1610 4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 1.1000 4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 1.3720 4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 0.3570 4.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -0.9250 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -2.1230 3.4790 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 -1.7820 2.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -3.4500 3.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 2.3860 5.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 3.6210 4.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 2.0470 6.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -2.0080 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -1.2800 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -1.2500 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -3.7660 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -3.8100 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -2.2740 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -2.5680 -3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -5.0320 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -4.8130 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -4.3040 -4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -3.0650 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -2.8630 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.4630 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -2.6790 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -5.0150 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -6.9030 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 -7.7320 4.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 -7.4380 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -9.7170 5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -8.7190 5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -9.0180 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 -7.0820 7.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -5.7550 7.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 -5.0350 7.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -4.1710 6.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8600 -5.5220 5.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 -4.1730 7.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -2.3420 6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -0.3300 4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 2.3610 4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5800 0.5700 4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 -1.7860 4.3740 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0060 2.1610 4.1850 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 2 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 28 2 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 67 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 68 1 0 0 0 0 M CHG 1 17 1 M CHG 1 67 -1 M CHG 1 68 -1 M END