PUBCHEM-ZINC05733131 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 71 0 0 1 0 0 0 0 0999 V2000 -0.7070 1.0760 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -0.3240 -0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.7990 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -2.1760 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.5460 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -1.3680 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -1.3790 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -2.6160 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -3.8030 -2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -3.7800 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -3.0930 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -3.5630 2.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7780 -4.5620 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -4.2330 4.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -5.8640 2.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -7.0020 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -7.5890 3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -8.8660 4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -9.0020 6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -10.3260 6.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -10.7090 7.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -11.0680 5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -10.1800 4.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -10.6990 2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -12.0750 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -12.9340 3.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -12.4460 5.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -12.4420 1.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -13.8270 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -2.4320 2.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2180 -2.9070 2.5430 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2110 -3.9860 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -2.1760 3.8770 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4890 -1.8420 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -1.0060 3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -1.4820 3.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -3.0290 4.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -3.4240 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 -2.4230 1.6240 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8590 -1.7740 0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -4.3030 0.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 1.3170 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 1.2540 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.6850 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.1300 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.4590 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -2.6490 -4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -4.7540 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -4.7100 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -2.6130 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -3.9710 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -5.9810 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -6.6930 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -7.7400 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -7.7720 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -6.8560 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -8.2640 6.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -10.0330 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -14.0040 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -13.1200 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -13.9500 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -14.4110 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -14.1970 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -0.6630 4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -0.1610 3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -1.7510 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -3.6490 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 41 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 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 36 1 0 0 0 0 30 40 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 39 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 37 38 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 M CHG 1 39 -1 M END