IFLAB-ZINC04940863 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.6850 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -1.9000 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 0.0080 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -0.7040 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 0.3090 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -0.5720 -0.0840 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0730 -1.2500 1.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -1.2370 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0040 0.6280 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 1.1650 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0610 1.0790 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5840 1.7880 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0380 1.0920 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5120 1.1730 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9880 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 0.9780 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 -1.3340 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -1.3250 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 0.9390 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2190 0.9300 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 2.2050 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1480 0.5780 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4690 1.5610 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 0.0330 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2570 2.8280 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6730 1.7500 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4300 1.5820 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3440 0.0450 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1170 0.5920 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 2.2140 -1.4540 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END