PUBCHEM-ZINC06778475 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.3210 1.0670 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.3620 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -0.9570 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -2.3910 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -2.8680 2.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -4.1480 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -4.8700 1.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -4.5310 3.8490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9380 -3.9960 4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -4.1580 3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -4.5000 5.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -3.7630 6.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -4.4190 7.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 -4.1010 8.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -5.5770 7.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 -5.6500 5.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -6.7500 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 -7.7310 5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9160 -7.6330 6.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 -6.5530 7.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -5.9620 4.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -6.4660 4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -5.7790 4.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -7.9130 4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -8.7040 4.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -10.0020 4.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -9.9320 4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -8.7140 4.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -11.2180 4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -11.1790 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 1.7110 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 1.4730 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 1.1110 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -0.9720 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -0.3760 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.3460 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -0.9370 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -3.0270 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -2.4210 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 -4.6550 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -3.0810 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -2.8290 6.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -6.8350 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 -8.5730 4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5100 -8.4020 7.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 -6.4750 8.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -6.6340 3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -8.5200 5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -11.4080 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -12.0400 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -11.0140 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -10.4150 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -12.4820 2.9930 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7290 -12.4760 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -13.2640 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -12.7010 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 M CHG 1 53 1 M END