IFLAB-ZINC02708220 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -0.9950 -1.7530 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 -1.8500 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -2.1620 -0.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5100 -2.8340 -0.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9280 -3.0680 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 -2.4250 -2.8950 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1070 -3.7280 -2.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9200 -4.1820 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 -4.0150 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 -4.8530 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9380 -5.3110 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1380 -5.9830 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0580 -6.4970 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0820 -7.0700 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7540 -6.8880 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5840 -6.2390 -2.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 -3.8610 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3840 -5.0020 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6740 -5.1630 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 -6.4640 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9660 -7.5650 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3400 -7.2170 -2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 M END