IFLAB-ZINC04189878 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -2.0060 1.5410 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 0.0910 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -0.2780 0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -0.6870 0.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -2.0780 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -2.9040 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -4.2760 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -4.8430 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -4.0230 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -2.6510 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -6.1930 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -6.8060 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -8.2930 -0.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0440 -8.4400 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -9.0630 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -11.2590 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -12.6760 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -13.3730 0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -12.6910 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -11.2890 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -14.6470 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -15.6310 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -16.9340 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -17.2870 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -16.3340 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -15.0190 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -14.0230 -2.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -14.3680 -3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -8.8780 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -8.2710 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 2.1190 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 1.6340 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 1.9400 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -0.2090 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -2.5140 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -4.9030 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -4.4120 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -2.0360 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -6.3780 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -6.6700 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -8.9780 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -8.7360 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -10.6830 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -11.2880 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -13.2010 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -12.6180 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -13.2510 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -12.6010 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -11.3280 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -10.7260 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -15.3910 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -17.6730 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -18.3010 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -16.6510 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -14.6950 -3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -15.1230 -4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -13.4670 -4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -10.5180 0.0870 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6280 -10.4390 0.6420 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 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 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 58 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 54 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 55 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 58 59 1 0 0 0 0 M CHG 1 58 1 M END