PUBCHEM-ZINC04676607 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.2510 1.5080 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -0.0180 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.5920 0.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -0.9170 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -2.3570 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -0.8300 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -0.5220 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -0.7570 3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -1.2990 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -1.6080 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -1.3690 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -2.1420 2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 -1.5540 4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -2.9730 5.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -3.4480 6.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 -2.7290 7.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -3.5120 8.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -4.7780 8.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -4.7380 6.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -5.8680 6.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -5.9660 8.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -7.0950 8.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 -8.2010 9.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 -8.1940 10.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -7.0800 10.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5310 -5.9640 9.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 -7.0810 11.4740 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1420 -8.0630 12.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -6.1010 11.5660 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2530 1.9360 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 1.8120 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 1.8650 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.3740 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.3210 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -0.8150 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -0.2370 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -2.4600 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -3.0380 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -2.5990 -2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -0.0990 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.5170 4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -1.6060 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 -1.4840 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -0.9500 5.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -1.2880 4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -3.5790 4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -3.1910 9.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -6.0210 6.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -6.7680 6.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -5.6580 5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -7.1020 8.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -9.0740 9.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 -9.0630 11.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1640 -5.0930 9.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 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 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END