IFLAB-ZINC04499851 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.5000 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.0070 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -0.6890 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -2.0530 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.7490 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -4.0820 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -4.7330 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -4.0680 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -2.7370 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -2.1360 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -2.0560 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -0.6960 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -6.4950 0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -6.7990 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -8.2830 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -9.0600 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -8.7490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -10.1260 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 -11.0330 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 -12.3900 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -12.8480 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 -11.9460 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 -10.5850 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -9.6980 -1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8280 -10.2400 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -14.1840 -0.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -15.0570 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.8770 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8680 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8450 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -0.1380 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -2.5910 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -0.1610 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -6.3650 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -6.3410 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -8.1310 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -10.6780 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -13.0950 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 -12.3040 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -10.8740 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 -10.8310 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4350 -9.4260 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -14.8940 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -14.8500 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -16.0920 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END