PUBCHEM-ZINC05553983 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 68 0 0 1 0 0 0 0 0999 V2000 -0.1840 1.8540 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 0.3360 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -0.2390 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.7680 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -2.3720 2.3350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3590 -1.9540 3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 -2.1350 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -3.3450 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -4.2800 3.2010 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5730 -4.0160 4.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -3.8940 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -5.7770 3.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2640 -6.0530 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 -6.1440 3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -7.0860 4.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6690 -7.4180 5.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4520 -6.6870 5.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 -8.8030 5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 -11.2550 7.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -9.6430 6.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 -10.9470 6.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 -8.9140 7.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 -9.4520 8.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 -7.4520 7.1530 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3030 -6.8680 7.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 -7.0070 7.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 -9.1350 3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -9.7970 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -10.1080 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -10.7600 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 -11.0700 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -11.7230 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -12.0960 -2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -11.7530 -3.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -6.5300 3.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 2.1910 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 2.2430 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 2.2900 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 0.0320 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0670 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 0.0780 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 0.1680 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -2.0710 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.1740 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -2.0680 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -1.2010 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -3.8310 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -3.0410 3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -4.2110 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -4.3420 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -5.5960 3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -7.6710 5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -7.2400 8.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0020 -8.2230 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 -9.8050 3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -10.7260 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -9.1470 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -9.1820 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 -10.7760 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -11.6860 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 -10.0930 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -10.1440 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -11.7350 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -12.6390 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -11.0480 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -6.2620 4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -12.7190 -3.4890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 14 15 2 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 22 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 26 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 34 2 0 0 0 0 33 67 1 0 0 0 0 35 66 1 0 0 0 0 M CHG 1 67 -1 M END