IFLAB-ZINC04166524 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 2.1860 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 2.3410 -1.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 3.3650 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 3.0800 -3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 3.9900 -4.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 5.0670 -4.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 5.2900 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 4.4700 -2.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 3.7050 -6.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 5.1640 -6.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 5.1340 -8.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 4.2170 -8.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 6.1270 -9.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 6.0980 -10.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 7.3310 -11.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9770 7.3990 -11.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 7.2780 -12.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 8.7480 -13.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 9.5160 -11.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 8.5280 -10.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 1.9240 -3.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 1.4690 -2.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -0.6290 -0.0350 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 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 1.2220 -1.7590 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 3.1670 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 3.1700 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 1.6470 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 6.1780 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 5.1640 -7.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 6.0650 -6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 6.8610 -8.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 6.0980 -10.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 5.1970 -11.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 6.6560 -12.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 6.9060 -13.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 8.8530 -13.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 9.1030 -13.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 10.3160 -11.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 9.9210 -11.9190 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 27 28 2 0 0 0 0 M END