OTAVA-ZINC05551942 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0460 1.9570 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.4300 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.1640 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -1.6900 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.2840 2.3390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4310 -1.8550 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -3.7790 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -4.5120 3.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -1.9770 3.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -1.2750 4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -0.8600 4.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -1.0350 5.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.3540 6.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -0.0790 7.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 0.2170 9.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 0.4750 10.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.4410 9.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 0.1490 8.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -0.1050 7.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 0.1150 8.0790 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8830 0.3440 8.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -0.1420 6.9340 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1010 -1.8410 5.3180 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -2.4000 3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -3.3090 2.6000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 2.3180 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 2.3800 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.2600 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 0.0690 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.1270 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 0.1980 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 0.1390 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.0520 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -1.9930 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -0.0150 6.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 0.2440 9.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 0.7030 11.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 0.6440 10.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -0.3280 6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -4.2950 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -5.2600 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END