IFLAB-ZINC05251546 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.2530 1.3750 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.0060 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.6810 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.0380 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 1.4180 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0860 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 2.1840 -1.5410 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9280 1.5960 -2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 3.4020 -1.5280 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2380 -2.0780 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.7710 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -2.1850 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -4.2600 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -4.8460 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -4.9540 0.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -6.4150 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -6.9490 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -8.4750 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 -8.9870 0.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -9.3630 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -9.4150 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 -9.7030 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -9.1790 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -8.9610 2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 1.8990 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -0.5620 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.4840 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -2.5480 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -4.4850 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -6.8310 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -6.7040 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -6.5330 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -6.6600 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -8.8920 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -8.7650 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -8.6130 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -10.3410 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -8.4580 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 -10.2220 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 -9.1730 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -10.7740 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 23 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 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 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 23 24 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END