OTAVA-ZINC06142279 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.4770 1.3830 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.0620 -0.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.7320 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -0.1090 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 1.2610 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 2.0730 -0.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5900 0.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 0.4300 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -0.6160 0.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 2.9180 0.6620 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7370 3.5720 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 3.4860 2.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7670 2.6590 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 4.3660 1.9240 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2450 4.5660 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5590 3.5640 0.9450 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1280 2.7920 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 2.8410 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 4.3960 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 3.5240 -0.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 2.9010 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 5.6280 1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 5.6340 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 4.2700 2.4120 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9990 -2.0900 0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -2.7440 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -4.2310 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -5.0040 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -4.3350 -0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 1.9660 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 0.4150 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 5.0550 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 4.9960 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -2.6150 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -2.3030 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -2.5900 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -4.6690 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -4.3840 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -6.2450 -0.1520 O 0 5 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 30 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 25 26 1 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 28 29 2 0 0 0 0 28 39 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 39 -1 M END