PUBCHEM-ZINC03872445 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 71 0 0 1 0 0 0 0 0999 V2000 -0.3490 2.9750 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 1.9200 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 2.4680 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.5990 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -0.1450 1.9990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2480 0.4950 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -1.3100 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.4490 1.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -0.7180 2.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -0.1170 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 1.0290 3.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -0.9720 3.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -0.6460 4.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8050 0.4310 4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -1.0830 5.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4520 -1.0180 6.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -0.2110 6.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -0.7730 7.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 -2.8870 6.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -2.4620 5.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -4.1870 6.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -1.4020 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -2.4860 2.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0290 -0.8150 3.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2930 -1.4080 3.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.1370 -1.9300 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8820 -2.3590 4.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -3.5970 4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7020 -4.5810 5.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8260 -4.4270 6.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 -5.6910 5.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3450 -6.4030 6.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 -5.8310 5.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2550 -0.2250 3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0770 0.8610 3.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3240 -0.4900 2.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3100 0.5420 1.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.4150 1.1930 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8690 1.3550 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6720 -0.0950 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6240 0.4930 1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 3.1780 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 3.9180 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.6620 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 1.7290 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 2.6890 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 1.7450 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 3.3900 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -0.0720 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8140 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -1.6900 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -1.8830 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.2120 5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 0.8270 6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -0.1850 8.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -0.6830 8.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -3.1070 4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -4.7710 5.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -4.5780 7.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 0.0900 4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0350 -1.8200 5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8800 -2.6790 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 -4.1140 3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0730 -3.3120 5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4080 -1.4100 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7820 0.7230 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5880 2.1490 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8930 1.8220 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8080 -1.1120 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.9870 1.7350 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9500 -2.1790 7.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 49 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 70 1 0 0 0 0 9 10 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 71 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 71 2 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 34 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 41 2 0 0 0 0 40 69 1 0 0 0 0 M CHG 1 70 -1 M END