MMs03817330 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -2.3593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0488 -1.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 -3.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -4.7264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -6.0885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8522 -5.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 -7.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 -7.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 -5.8144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1303 -4.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -3.1264 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -8.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 -8.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 -8.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 -9.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 -11.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9119 -12.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 -6.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -7.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 -7.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7334 -6.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1052 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 -5.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2271 -6.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0927 -5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5864 -5.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2146 -6.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4519 -4.3236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6924 0.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9801 0.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6924 -0.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7368 0.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 -1.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9527 -7.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -9.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 -9.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 -10.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 -12.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -11.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 -13.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -13.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 -8.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3704 -8.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -4.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1089 -3.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0072 -4.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 -4.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6469 -4.4332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 -3.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 2 0 0 0 0 10 16 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 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END