PUBCHEM-ZINC00734498 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 67 0 0 0 0 0 0 0 0999 V2000 0.1170 0.1010 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -1.0690 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -1.5870 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -3.2190 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -2.7010 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -1.6250 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -3.2640 -2.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -2.5890 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -3.5070 -4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -4.7170 -3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -4.4920 -2.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -6.0130 -4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -7.1360 -3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -8.3390 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 -8.4300 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -7.3180 -5.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -6.1090 -5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -9.7230 -5.5760 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1240 -10.7040 -4.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -9.8050 -6.6660 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1610 -1.1690 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.3740 -3.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.7480 -5.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 0.6660 -5.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 0.7420 -6.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.1100 -7.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -1.5220 -7.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -1.6910 -6.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 0.0580 -8.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -0.2110 -8.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -0.0440 -9.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 0.3910 -10.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 0.6610 -11.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 0.4900 -10.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 0.7480 -10.3000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -4.3880 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 1.0300 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 0.0950 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.0260 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -1.1520 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -3.0630 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -1.2230 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -3.3340 -5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -7.0670 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -9.2110 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -7.3940 -6.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -5.2400 -6.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 1.1080 -6.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.2030 -4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 1.7720 -6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 0.3950 -6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -2.1320 -8.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -1.8370 -6.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.7120 -6.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -1.4800 -6.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.5510 -7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 -0.2540 -9.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 0.5200 -11.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 1.0010 -12.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -5.3170 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -4.3060 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -4.3890 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 44 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 2 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END