IFLAB-ZINC04166891 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6890 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0170 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -0.6550 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 0.0610 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 1.4550 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 2.1390 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -0.7860 -0.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 0.1150 0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0860 -2.0770 0.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 -1.0140 -1.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 0.1410 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 -0.3300 -3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0290 0.8570 -4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 1.1290 -5.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1880 2.5850 -6.0880 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4520 2.6820 -5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0880 1.6860 -5.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 3.7240 -6.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0540 4.7480 -7.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 5.6990 -7.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 5.6080 -7.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.6300 -6.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 3.6990 -6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9090 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -1.7690 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.7350 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 1.9990 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 3.2190 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.1860 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 -1.9120 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 0.6370 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 0.8390 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6690 -0.8260 -3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 -1.0290 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1520 0.5560 -4.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1050 4.7960 -7.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 6.5040 -8.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 6.3480 -7.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 2.9120 -5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 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 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 M END