PUBCHEM-ZINC05408754 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.3980 0.6370 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.5630 1.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.9090 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.1560 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -0.5970 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -1.7800 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -2.5350 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -2.1090 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.7890 -0.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -3.9980 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -2.1930 -0.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -3.0330 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -1.4960 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9820 -0.3370 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 0.1870 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 1.2580 1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 0.3920 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3750 -0.0010 0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 1.5970 1.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2080 2.4390 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8480 3.1160 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9480 4.1100 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3180 4.6570 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2120 5.8700 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3720 5.5540 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0030 5.0030 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 -2.0650 -0.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 0.7510 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 1.5090 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.5860 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 0.7720 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.4560 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -4.3930 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -4.7480 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -3.8180 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 1.8830 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9440 1.8150 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8290 3.1820 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1880 3.8790 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 2.3780 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0520 3.1830 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3600 4.8340 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8630 4.9300 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9040 3.8740 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7590 6.7050 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2130 6.1930 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2490 6.4610 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9020 4.8260 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4050 5.7360 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4670 4.6960 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -2.9840 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1690 3.7850 0.8420 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.7300 3.0930 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 52 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END