PUBCHEM-ZINC05985960 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.7840 0.7000 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 0.5430 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 2.7100 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 3.3950 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 4.8120 -0.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 5.8580 -1.3450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4690 5.6370 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 7.1250 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 8.3700 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 8.7350 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 9.3280 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 9.6680 -4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 9.4700 -3.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 8.9030 -2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 8.5200 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 9.4140 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 6.7560 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 7.4620 1.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 5.2730 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 4.6300 1.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 5.8940 -2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 5.7720 -3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 5.8380 -5.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 6.0200 -5.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 6.1310 -4.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 6.0690 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 6.0940 -6.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 6.0270 -7.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 6.2460 -7.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 6.3310 -8.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -0.3930 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 1.0550 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 1.0720 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 0.8350 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -0.5390 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 0.8740 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 3.0370 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 2.9450 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 3.2830 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 2.9340 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 9.5140 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 10.1250 -4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 8.7590 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 8.0780 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 10.2290 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 5.6460 -3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 5.7570 -5.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 6.2750 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 6.1660 -2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 7.2020 -9.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 5.4120 -9.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 6.4520 -8.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 1.2010 -0.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0550 0.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 53 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END