PUBCHEM-ZINC04695052 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -2.0460 1.6740 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 0.2300 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.6220 1.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.9470 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -2.8290 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -4.1740 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -4.6480 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -3.7580 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -2.4160 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -6.0900 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -6.7580 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -8.0440 -0.1450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6080 -8.2170 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -7.0200 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -6.7650 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -9.4160 -0.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -9.0970 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -9.8140 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -9.4780 1.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -10.9180 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 -11.5860 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -12.6170 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -13.0000 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7040 -12.3410 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -11.3040 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7700 -14.0210 1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4880 -14.3630 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4360 -15.5280 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 2.3230 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 1.7370 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 1.9890 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -0.0860 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 0.1660 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -2.4610 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -4.8600 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -4.1210 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -1.7270 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -6.3260 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -6.7960 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -7.5280 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -5.7820 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -10.2230 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -9.4500 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 -8.6520 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -9.8070 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -11.2890 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -13.1320 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2740 -12.6420 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -10.7900 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0650 -13.5020 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 -14.6560 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8590 -16.3890 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1400 -15.2350 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9830 -15.7890 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 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 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M CHG 1 12 1 M END