MAYBRIDGE-ZINC00125871 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.6330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -2.0460 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -2.8010 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -4.5010 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -3.1210 -0.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -2.2520 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -3.0740 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -2.5430 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -1.1210 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 0.0070 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 -3.5980 0.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 -3.1090 -1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -4.9100 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2170 -3.2840 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -4.8940 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -5.5180 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -1.2890 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -4.1460 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4950 -2.2320 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1100 -3.9020 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5220 -3.5280 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 3 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END