IFLAB-ZINC04940742 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 1.3870 1.8170 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 0.3420 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.4660 -1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -1.8110 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -2.6540 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -4.0210 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -4.5510 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -3.7070 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -2.3400 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -5.9380 -1.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -6.7700 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -6.3220 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -8.2550 -0.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3940 -8.6190 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -8.5420 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -8.9340 0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -8.7540 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -7.9590 1.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -9.5470 2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -9.5620 3.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -10.3960 4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -11.2330 4.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -11.2300 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -10.4040 1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -10.0880 0.2120 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -9.4470 -0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -11.2590 -0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 2.0880 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 1.9810 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 2.4340 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 0.1790 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 0.0720 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -2.2420 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -4.6770 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -4.1190 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -1.6830 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -6.2990 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -8.0360 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -8.1780 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -9.6160 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -8.9170 4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -10.3990 5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -11.8830 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -11.8790 2.2900 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 M END