PUBCHEM-ZINC05462116 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 58 0 0 1 0 0 0 0 0999 V2000 1.1390 0.4660 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -0.9870 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -1.3330 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -2.7950 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -3.1420 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -4.6040 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -4.9380 0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -5.4450 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -6.9600 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -7.4720 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -8.9870 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -9.4990 -4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -11.0060 -4.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -4.7640 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 -4.2790 2.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 -5.0950 1.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4750 -5.8820 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 -3.8140 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 -3.8870 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1090 -4.8220 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3430 -5.8700 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -5.5920 2.5920 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6410 -4.8340 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -6.9170 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -7.5750 2.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 0.6920 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 0.6740 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 1.1420 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -1.6350 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -1.1700 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -0.6790 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -1.1460 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -3.4500 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -2.9830 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -2.4850 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -2.9500 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -5.2750 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -4.7910 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 -5.1780 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -4.9350 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -7.2240 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -7.4630 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -7.2120 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -6.9750 -3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -9.2480 -2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -9.4840 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 -9.2450 -4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -9.0090 -4.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -11.2910 -4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -11.5280 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -11.3500 -5.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6610 -2.9440 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -3.6100 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1330 -3.1400 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1910 -4.8370 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7490 -5.9240 3.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -6.8420 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4430 -7.2030 4.2790 O 0 5 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 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 58 1 0 0 0 0 M CHG 1 58 -1 M END