ASINEX-ZINC04454050 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7210 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.4380 0.7560 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.1480 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.7780 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.3450 -2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 0.8430 -2.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -1.2740 -3.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.9980 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.5960 -3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -3.0100 -2.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -3.6100 -4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -5.2820 -3.6590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -6.3140 -5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -5.8980 -6.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -6.8830 -7.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -8.1000 -6.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -8.0740 -5.0740 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -9.2450 -7.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.1390 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -3.4880 -4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -3.4630 -4.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -9.1680 -8.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -10.1200 -7.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -0.0130 2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -0.8130 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 0.8290 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 M END