MMs01380952 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 72 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 -0.7556 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 -3.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 -3.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 -2.6046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 -1.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 0.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8002 -1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1025 -1.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3983 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3918 -3.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0895 -4.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 -3.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3651 -3.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8954 -5.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -4.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 -5.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9898 -3.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 -4.1427 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3248 -4.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2791 -5.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5879 -3.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5944 -1.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8837 -4.1539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1859 -3.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1924 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4947 -1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7905 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7840 -3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4817 -4.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0928 -1.1765 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.3484 0.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8371 -2.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3950 -0.4321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6908 -1.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9931 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9996 1.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7038 1.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4015 1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 -0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -0.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 -2.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 -4.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 -4.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 0.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4401 -1.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 -5.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0791 -5.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2739 -6.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4791 -5.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8785 -5.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1558 -1.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4999 0.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8206 -4.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4765 -5.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9155 -2.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4582 -2.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3986 -1.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1757 -0.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4791 2.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9364 2.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2189 0.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9960 2.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 5 6 2 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 2 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 65 1 0 0 0 0 41 66 1 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 M END