IFLAB-ZINC04325858 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0230 1.5010 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0050 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.7360 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -2.1190 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.7780 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -2.0460 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -0.6510 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.7450 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -3.9570 -2.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -2.0390 -3.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -2.6940 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -2.1130 -5.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -2.8890 -7.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -2.4980 -8.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -3.4390 -9.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -4.7950 -8.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -5.1940 -7.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -4.2500 -6.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -4.4370 -4.9710 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -5.7360 -9.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -5.2760 -11.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -4.0200 -11.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -3.0280 -10.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.2840 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 1.8880 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 1.8830 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 1.8210 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.2250 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.6830 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -0.0790 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -1.0710 -3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -1.4510 -8.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -6.2440 -7.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -6.0500 -11.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -5.0320 -11.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.2620 -11.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -3.6450 -12.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -4.6680 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -4.6100 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -4.6620 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 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 22 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END