ASINEX-ZINC03123997 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 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 0.6520 -0.5700 -1.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4200 0.1200 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -0.7670 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -2.5710 -2.5720 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -2.8900 -3.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -3.0170 -2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -3.0430 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -1.8860 -0.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2060 -2.0520 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -2.7460 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -2.6610 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -1.9130 3.1680 O 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 -1.3640 -0.4220 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.2320 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -3.0600 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.0020 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -2.4680 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -3.7660 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8300 0.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -0.8860 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -3.4150 2.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 -3.3260 3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 M END