@MOLECULE c70 fullerene 70 105 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.2294 2.2213 0.9223 C.ar 1 UNL111 -0.0109 2 C 3.9744 1.1461 0.4759 C.ar 1 UNL111 0.0036 3 C 3.9743 -0.0985 1.2371 C.ar 1 UNL111 0.0036 4 C 3.9744 -1.2071 0.2888 C.ar 1 UNL111 0.0036 5 C 2.4449 2.1136 2.1429 C.ar 1 UNL111 0.0055 6 C 3.2294 -0.1907 2.3976 C.ar 1 UNL111 -0.0109 7 C 2.4450 3.0098 -0.0156 C.ar 1 UNL111 0.0056 8 C 3.9745 0.8067 -0.9429 C.ar 1 UNL111 0.0036 9 C 3.9743 -0.6476 -1.0586 C.ar 1 UNL111 0.0036 10 C 3.2296 1.5636 -1.8275 C.ar 1 UNL111 -0.0109 11 C 3.2294 -2.3393 0.5596 C.ar 1 UNL111 -0.0109 12 C 2.4449 0.9450 2.8576 C.ar 1 UNL111 0.0056 13 C 2.4449 -1.3849 2.6724 C.ar 1 UNL111 0.0055 14 C 3.2295 -1.2551 -2.0518 C.ar 1 UNL111 -0.0109 15 C 2.4448 -2.4258 1.7818 C.ar 1 UNL111 0.0056 16 C 2.4449 -2.9694 -0.4912 C.ar 1 UNL111 0.0055 17 C 1.1928 2.8489 1.9546 C.ar 1 UNL111 -0.0095 18 C 2.4450 2.6911 -1.3479 C.ar 1 UNL111 0.0055 19 C 1.1928 3.3952 0.6381 C.ar 1 UNL111 -0.0097 20 C 1.1927 0.4425 3.4265 C.ar 1 UNL111 -0.0097 21 C 1.1927 -0.9783 3.3132 C.ar 1 UNL111 -0.0094 22 C 1.1927 -3.1221 1.4796 C.ar 1 UNL111 -0.0097 23 C 1.1928 -3.4535 0.0934 C.ar 1 UNL111 -0.0094 24 C 2.4449 -2.4441 -1.7564 C.ar 1 UNL111 0.0056 25 C -0.0001 2.4389 2.5841 C.ar 1 UNL111 0.0153 26 C -0.0001 1.1897 3.3481 C.ar 1 UNL111 0.0154 27 C -0.0001 -1.7037 3.1176 C.ar 1 UNL111 0.0152 28 C -0.0001 -2.8165 2.1659 C.ar 1 UNL111 0.0154 29 C -0.0000 -3.4916 -0.6569 C.ar 1 UNL111 0.0152 30 C 1.1929 -2.3718 -2.5119 C.ar 1 UNL111 -0.0096 31 C -1.1929 2.8488 1.9544 C.ar 1 UNL111 -0.0095 32 C -0.0000 3.5514 -0.0967 C.ar 1 UNL111 0.0154 33 C -1.1929 0.4425 3.4263 C.ar 1 UNL111 -0.0097 34 C -1.1929 -0.9783 3.3131 C.ar 1 UNL111 -0.0094 35 C -1.1929 -3.1220 1.4795 C.ar 1 UNL111 -0.0097 36 C -1.1930 -3.4534 0.0933 C.ar 1 UNL111 -0.0094 37 C 0.0001 -2.9301 -2.0092 C.ar 1 UNL111 0.0154 38 C -2.4450 2.1135 2.1427 C.ar 1 UNL111 0.0055 39 C -1.1930 3.3952 0.6380 C.ar 1 UNL111 -0.0096 40 C -2.4450 0.9449 2.8575 C.ar 1 UNL111 0.0056 41 C -2.4451 -1.3848 2.6722 C.ar 1 UNL111 0.0054 42 C -2.4450 -2.4257 1.7817 C.ar 1 UNL111 0.0056 43 C -2.4451 -2.9692 -0.4913 C.ar 1 UNL111 0.0055 44 C -1.1926 -2.3717 -2.5119 C.ar 1 UNL111 -0.0096 45 C 2.4451 0.9151 -2.8670 C.ar 1 UNL111 0.0056 46 C 2.4450 -0.4504 -2.9758 C.ar 1 UNL111 0.0055 47 C 1.1929 2.7392 -2.1055 C.ar 1 UNL111 -0.0094 48 C 1.1929 -1.1559 -3.2555 C.ar 1 UNL111 -0.0094 49 C 0.0001 3.2110 -1.5209 C.ar 1 UNL111 0.0152 50 C -3.2296 2.2212 0.9222 C.ar 1 UNL111 -0.0108 51 C -2.4451 3.0098 -0.0158 C.ar 1 UNL111 0.0056 52 C -3.2295 -0.1907 2.3974 C.ar 1 UNL111 -0.0108 53 C -3.2296 -2.3392 0.5595 C.ar 1 UNL111 -0.0109 54 C -2.4448 -2.4441 -1.7565 C.ar 1 UNL111 0.0056 55 C -1.1926 -1.1559 -3.2556 C.ar 1 UNL111 -0.0094 56 C 1.1931 1.6561 -3.0320 C.ar 1 UNL111 -0.0096 57 C 0.0002 -0.4541 -3.5237 C.ar 1 UNL111 0.0152 58 C -1.1927 2.7391 -2.1055 C.ar 1 UNL111 -0.0095 59 C -3.9745 1.1461 0.4757 C.ar 1 UNL111 0.0036 60 C -2.4449 2.6911 -1.3481 C.ar 1 UNL111 0.0055 61 C -3.9744 -0.0985 1.2369 C.ar 1 UNL111 0.0035 62 C -3.9744 -1.2069 0.2886 C.ar 1 UNL111 0.0036 63 C -3.2293 -1.2550 -2.0520 C.ar 1 UNL111 -0.0108 64 C -2.4447 -0.4504 -2.9759 C.ar 1 UNL111 0.0055 65 C 0.0002 1.0055 -3.4076 C.ar 1 UNL111 0.0154 66 C -1.1928 1.6560 -3.0320 C.ar 1 UNL111 -0.0096 67 C -3.9743 0.8067 -0.9432 C.ar 1 UNL111 0.0036 68 C -3.2295 1.5636 -1.8278 C.ar 1 UNL111 -0.0109 69 C -3.9742 -0.6476 -1.0589 C.ar 1 UNL111 0.0036 70 C -2.4448 0.9151 -2.8673 C.ar 1 UNL111 0.0056 @BOND 1 49 58 ar 2 49 47 ar 3 49 32 ar 4 58 66 ar 5 58 60 ar 6 47 56 ar 7 47 18 ar 8 56 65 ar 9 56 45 ar 10 66 65 ar 11 66 70 ar 12 32 39 ar 13 32 19 ar 14 18 7 ar 15 18 10 ar 16 60 51 ar 17 60 68 ar 18 65 57 ar 19 51 39 ar 20 51 50 ar 21 7 19 ar 22 7 1 ar 23 39 31 ar 24 19 17 ar 25 70 68 ar 26 70 64 ar 27 45 10 ar 28 45 46 ar 29 68 67 ar 30 10 8 ar 31 57 55 ar 32 57 48 ar 33 50 59 ar 34 50 38 ar 35 1 2 ar 36 1 5 ar 37 31 25 ar 38 31 38 ar 39 17 25 ar 40 17 5 ar 41 46 48 ar 42 46 14 ar 43 64 55 ar 44 64 63 ar 45 67 59 ar 46 67 69 ar 47 8 2 ar 48 8 9 ar 49 55 44 ar 50 48 30 ar 51 59 61 ar 52 2 3 ar 53 25 26 ar 54 38 40 ar 55 5 12 ar 56 14 9 ar 57 14 24 ar 58 63 69 ar 59 63 54 ar 60 69 62 ar 61 9 4 ar 62 30 24 ar 63 30 37 ar 64 44 54 ar 65 44 37 ar 66 61 62 ar 67 61 52 ar 68 3 4 ar 69 3 6 ar 70 40 52 ar 71 40 33 ar 72 12 6 ar 73 12 20 ar 74 26 33 ar 75 26 20 ar 76 54 43 ar 77 24 16 ar 78 62 53 ar 79 4 11 ar 80 37 29 ar 81 52 41 ar 82 6 13 ar 83 33 34 ar 84 20 21 ar 85 43 53 ar 86 43 36 ar 87 16 11 ar 88 16 23 ar 89 53 42 ar 90 11 15 ar 91 29 36 ar 92 29 23 ar 93 13 21 ar 94 13 15 ar 95 41 34 ar 96 41 42 ar 97 21 27 ar 98 34 27 ar 99 36 35 ar 100 23 22 ar 101 42 35 ar 102 15 22 ar 103 27 28 ar 104 35 28 ar 105 22 28 ar