IFLAB-ZINC04553812 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 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 3 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 8.5960 -0.4230 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5240 -0.3160 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6560 -1.0860 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6480 -1.8200 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1470 -1.5440 1.1570 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 1.3430 1.4230 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 2.1870 1.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 0.5750 2.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5450 2.4480 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 3.6400 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7090 4.3330 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7160 3.7040 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1590 2.1500 1.9140 S 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 9.4010 0.3240 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4840 -1.0940 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 -2.4780 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6160 4.0340 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8200 5.3100 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7190 4.0910 1.4110 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 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 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 M END