OTAVA-ZINC04514045 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 2.2800 0.4410 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -0.2460 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -0.0470 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -0.6010 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.3660 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -1.5900 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -1.0340 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -1.3430 -2.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -1.1110 -3.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8280 -0.1290 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.1770 -4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.2420 -5.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -2.3550 -5.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -3.1680 -4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -4.2830 -4.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -2.4050 -3.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -2.6940 -6.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -2.1720 -6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -2.4840 -8.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -3.3260 -9.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -3.8630 -8.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -3.5540 -7.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -2.4370 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -2.5910 -2.1980 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9940 -0.2840 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1730 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.9980 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 0.5570 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -0.4340 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -1.7970 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -1.8950 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -1.5330 -6.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -2.0690 -8.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -3.5660 -10.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -4.5210 -9.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -3.9820 -7.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -2.9220 -0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 2 0 0 0 0 M CHG 1 24 -1 M END