IFLAB-ZINC04163170 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.1970 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0090 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4130 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 1.8380 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 0.6760 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -0.3900 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -1.3140 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 3.2100 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 4.1430 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 3.4630 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 2.5310 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 4.7280 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 4.9780 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 6.4860 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 6.7420 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 6.8660 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 7.1010 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1420 7.2130 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4710 7.0910 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1080 6.8600 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8780 7.5120 -0.0840 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3760 7.0380 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3550 7.0480 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0930 9.1540 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 0.6320 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 5.4740 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 4.5290 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 4.5370 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4790 6.9340 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 6.9260 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 6.7780 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9740 7.1960 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0110 7.1780 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5830 6.7680 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8810 9.5380 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4310 9.7310 -0.4910 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END