IFLAB-ZINC04176325 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 37 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 1.2040 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.4350 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 1.9680 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 1.1590 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.5090 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 1.5750 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 0.6870 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 1.5830 -0.0740 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 3.1010 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 2.8560 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 4.3660 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6030 4.4990 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3120 3.5110 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2110 5.8420 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4890 6.4900 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0580 7.7490 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3530 8.3700 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0820 7.7370 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5080 6.4800 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2390 5.8660 2.3140 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 5.8850 -2.4520 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9040 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 1.2180 -1.7560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 -0.3880 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 5.1540 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2740 8.2500 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7980 9.3540 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3160 8.2280 2.0650 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 29 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 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 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 25 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 M END