PUBCHEM-ZINC04756043 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.7040 -2.4180 4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -1.8780 2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -2.8950 2.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -2.4590 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -3.6280 1.2840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3870 -4.5040 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -3.2750 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -5.6050 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -6.6320 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 -6.1020 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 -4.7770 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8960 -4.3000 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 -3.1060 -0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 -5.2840 -0.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7800 -4.9870 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 -6.6150 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2980 -7.0430 -0.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 -7.5870 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5530 -7.7150 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0280 -8.2780 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8170 -8.4270 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1470 -8.0240 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6860 -7.4700 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9030 -7.3060 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5470 -6.7160 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 -3.7430 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -4.0040 2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -3.9960 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -1.6680 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -2.7120 4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -3.3130 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.9930 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.6050 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -1.6000 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -2.1700 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -2.3090 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -3.2500 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -5.9650 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 -5.3870 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -7.5080 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 -6.9730 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1750 -7.2560 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2210 -8.5750 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9920 -8.6100 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3920 -8.8600 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7690 -8.1450 3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7320 -7.1690 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5490 -7.4460 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5870 -6.4310 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0150 -5.8130 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -3.2020 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -3.0300 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -4.3060 0.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1910 -4.5040 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 53 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 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 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END