PUBCHEM-ZINC00444863 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.6890 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 0.0160 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -0.6630 -3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -2.0460 -3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.7570 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -2.0830 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.8030 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -3.8380 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -4.2380 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -3.4600 1.9960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -2.6050 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -5.3360 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -5.6430 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -6.6650 3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -7.3850 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 -7.0850 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -6.0610 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -8.4810 2.5720 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9060 -8.7480 3.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -9.1160 1.7040 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.4990 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 1.0960 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -0.1130 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -2.5720 -3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -3.8360 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -4.2560 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -1.8600 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -5.0820 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -6.9040 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -7.6500 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -5.8250 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END