PUBCHEM-ZINC06195265 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 73 0 0 0 0 0 0 0 0999 V2000 0.6700 0.8400 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -0.6700 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -1.1470 0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -2.5660 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -2.9730 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -4.4830 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -4.8480 1.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -6.0600 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -7.4330 0.4310 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 -6.0110 0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 -4.7630 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 -3.7160 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 -2.7900 -2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 -2.5960 -3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2620 -1.7890 -2.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6450 -2.3960 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 -2.5710 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -7.2160 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -7.4590 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 -8.4450 -2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -8.6860 -3.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 -9.6720 -4.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -9.8700 -5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -9.0760 -6.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 -8.0980 -5.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 -7.9080 -4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -6.9220 -3.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 -6.3730 -4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -6.6490 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0650 -5.7410 -1.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 -9.3350 -7.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -8.4800 -8.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -10.8070 -6.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -11.5910 -5.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.2490 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 1.1380 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 1.2880 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.1070 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.9550 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -3.0260 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -2.8790 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -2.4780 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.5960 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -4.9670 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -4.8590 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -4.1440 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5340 -5.0150 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 -4.3380 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 -2.7670 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -4.0770 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -3.4650 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -1.8340 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0720 -2.0850 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -3.5580 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3810 -1.7400 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1360 -3.3550 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9690 -1.6090 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7230 -3.0810 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -8.0850 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 -7.1210 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -9.0970 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -10.2730 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 -7.4790 -6.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4720 -8.7920 -9.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 -8.5790 -8.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 -7.4380 -8.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -12.2170 -4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -12.2580 -6.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -10.9630 -4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3910 -3.4130 -1.4060 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8230 -4.3530 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 12 70 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 13 70 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 17 70 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 61 1 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 62 1 0 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 70 71 1 0 0 0 0 M CHG 1 70 1 M END