OTAVA-ZINC04425575 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.7320 -0.6100 -4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -0.2190 -4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.7900 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -2.0550 -2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -2.5870 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -1.8600 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -0.6030 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -0.0720 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -2.4050 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -2.5470 2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -2.1710 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -1.5960 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 -2.5390 2.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 -3.1230 3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 -3.6740 5.1280 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -3.2290 3.6150 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 -2.3100 2.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8800 -2.7810 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 -0.8260 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8850 -0.2360 3.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1560 1.1290 3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 1.9310 2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 1.3680 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 0.0020 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 -3.1030 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -4.1470 0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -0.2450 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.1820 -5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -1.6970 -4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -0.5640 -4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 0.8740 -3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -2.6320 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -3.5630 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -0.0230 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 0.9110 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.7090 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -0.8410 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.5650 4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4080 2.9930 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 1.9870 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5160 -0.4150 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 -2.6800 0.6250 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 42 -1 M END