PUBCHEM-ZINC05459421 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 1.5160 -1.1470 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -0.2350 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 0.9750 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.8120 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 0.0490 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -0.4470 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -1.8110 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -2.6700 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -2.1760 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.3910 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 -1.7360 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -0.5330 0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3290 -2.7040 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6340 -1.9670 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1300 -2.1030 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3180 -3.0370 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3300 -4.1470 0.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0990 -4.9000 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9190 -3.9550 1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5000 -4.5230 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4820 -5.5840 2.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.6380 -5.9370 3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8230 -5.2760 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7560 -4.2080 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6230 -3.8180 1.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -0.5540 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.8820 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -1.6390 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 1.1170 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 0.2660 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -3.7390 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -2.8840 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -3.3970 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3550 -3.1870 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 -3.4720 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6710 -1.5430 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -1.1600 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0320 -1.3710 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2340 -1.5830 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2290 -2.4290 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2440 -3.4450 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1540 -5.6000 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8970 -5.4990 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0330 -3.4240 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9860 -4.5240 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5740 -6.7990 3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7410 -5.5740 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6350 -3.6110 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8230 -2.8970 0.3740 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.7340 -3.3840 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 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 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 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 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END