@MOLECULE buckminsterfullerene 60 90 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0842 0.0001 1.7472 C.ar 1 UNL1111 0.0000 2 C -3.2190 1.1805 0.9004 C.ar 1 UNL1111 -0.0000 3 C -3.4369 0.7296 -0.4699 C.ar 1 UNL1111 -0.0001 4 C -3.4368 -0.7296 -0.4700 C.ar 1 UNL1111 -0.0000 5 C -3.2189 -1.1803 0.9004 C.ar 1 UNL1111 -0.0000 6 C -2.4459 -2.2969 1.1446 C.ar 1 UNL1111 0.0001 7 C -1.8460 -3.0261 0.0324 C.ar 1 UNL1111 -0.0000 8 C -2.0524 -2.6004 -1.2638 C.ar 1 UNL1111 0.0001 9 C -2.8701 -1.4198 -1.5219 C.ar 1 UNL1111 0.0000 10 C -2.2701 -0.6901 -2.6338 C.ar 1 UNL1111 0.0000 11 C -2.2701 0.6898 -2.6338 C.ar 1 UNL1111 -0.0000 12 C -2.8701 1.4196 -1.5219 C.ar 1 UNL1111 0.0001 13 C -2.0524 2.6002 -1.2638 C.ar 1 UNL1111 0.0001 14 C -1.8460 3.0261 0.0324 C.ar 1 UNL1111 -0.0000 15 C -2.4460 2.2971 1.1447 C.ar 1 UNL1111 0.0001 16 C -1.4935 2.2971 2.2500 C.ar 1 UNL1111 0.0000 17 C -0.3048 3.0262 1.8208 C.ar 1 UNL1111 0.0000 18 C -0.5227 3.4765 0.4503 C.ar 1 UNL1111 -0.0001 19 C 0.5227 3.4765 -0.4503 C.ar 1 UNL1111 -0.0001 20 C 0.3048 3.0262 -1.8208 C.ar 1 UNL1111 0.0000 21 C -0.9469 2.6002 -2.2159 C.ar 1 UNL1111 0.0000 22 C -1.0814 1.4193 -3.0624 C.ar 1 UNL1111 -0.0000 23 C 0.0427 0.7295 -3.4681 C.ar 1 UNL1111 -0.0001 24 C 0.0426 -0.7295 -3.4680 C.ar 1 UNL1111 -0.0001 25 C -1.0814 -1.4194 -3.0623 C.ar 1 UNL1111 -0.0001 26 C -0.9469 -2.6003 -2.2160 C.ar 1 UNL1111 0.0001 27 C 0.3048 -3.0262 -1.8208 C.ar 1 UNL1111 -0.0000 28 C 0.5227 -3.4766 -0.4503 C.ar 1 UNL1111 -0.0001 29 C -0.5227 -3.4766 0.4503 C.ar 1 UNL1111 -0.0001 30 C -0.3048 -3.0262 1.8208 C.ar 1 UNL1111 -0.0000 31 C 0.9469 -2.6003 2.2160 C.ar 1 UNL1111 0.0001 32 C 2.0524 -2.6004 1.2638 C.ar 1 UNL1111 0.0001 33 C 1.8460 -3.0261 -0.0324 C.ar 1 UNL1111 -0.0000 34 C 2.4459 -2.2969 -1.1446 C.ar 1 UNL1111 0.0001 35 C 1.4933 -2.2969 -2.2498 C.ar 1 UNL1111 0.0000 36 C 1.3659 -1.1803 -3.0505 C.ar 1 UNL1111 0.0000 37 C 2.1836 0.0001 -2.7925 C.ar 1 UNL1111 0.0000 38 C 1.3659 1.1805 -3.0506 C.ar 1 UNL1111 0.0000 39 C 1.4935 2.2971 -2.2500 C.ar 1 UNL1111 0.0000 40 C 2.4460 2.2971 -1.1447 C.ar 1 UNL1111 0.0001 41 C 1.8460 3.0261 -0.0324 C.ar 1 UNL1111 -0.0000 42 C 2.0524 2.6002 1.2638 C.ar 1 UNL1111 0.0001 43 C 0.9469 2.6002 2.2159 C.ar 1 UNL1111 0.0000 44 C 1.0814 1.4193 3.0624 C.ar 1 UNL1111 -0.0000 45 C 2.2701 0.6898 2.6338 C.ar 1 UNL1111 -0.0000 46 C 2.8701 1.4196 1.5219 C.ar 1 UNL1111 0.0001 47 C 3.4369 0.7296 0.4699 C.ar 1 UNL1111 -0.0001 48 C 3.2190 1.1805 -0.9004 C.ar 1 UNL1111 -0.0000 49 C 3.0842 0.0001 -1.7472 C.ar 1 UNL1111 0.0000 50 C 3.2189 -1.1803 -0.9004 C.ar 1 UNL1111 -0.0000 51 C 3.4368 -0.7296 0.4700 C.ar 1 UNL1111 -0.0000 52 C 2.8701 -1.4198 1.5219 C.ar 1 UNL1111 0.0000 53 C 2.2701 -0.6901 2.6338 C.ar 1 UNL1111 0.0000 54 C 1.0814 -1.4194 3.0623 C.ar 1 UNL1111 -0.0001 55 C -0.0426 -0.7295 3.4680 C.ar 1 UNL1111 -0.0001 56 C -0.0427 0.7295 3.4681 C.ar 1 UNL1111 -0.0001 57 C -1.3659 1.1805 3.0506 C.ar 1 UNL1111 0.0000 58 C -2.1836 0.0001 2.7925 C.ar 1 UNL1111 0.0000 59 C -1.3659 -1.1803 3.0505 C.ar 1 UNL1111 0.0000 60 C -1.4933 -2.2969 2.2498 C.ar 1 UNL1111 0.0000 @BOND 1 48 47 ar 2 48 49 ar 3 48 40 ar 4 50 49 ar 5 50 51 ar 6 50 34 ar 7 47 51 ar 8 47 46 ar 9 49 37 ar 10 51 52 ar 11 40 39 ar 12 40 41 ar 13 52 32 ar 14 52 53 ar 15 46 42 ar 16 46 45 ar 17 34 33 ar 18 34 35 ar 19 37 38 ar 20 37 36 ar 21 32 33 ar 22 32 31 ar 23 42 41 ar 24 42 43 ar 25 39 38 ar 26 39 20 ar 27 53 45 ar 28 53 54 ar 29 45 44 ar 30 41 19 ar 31 33 28 ar 32 35 36 ar 33 35 27 ar 34 38 23 ar 35 36 24 ar 36 31 54 ar 37 31 30 ar 38 43 44 ar 39 43 17 ar 40 44 56 ar 41 20 19 ar 42 20 21 ar 43 27 28 ar 44 27 26 ar 45 54 55 ar 46 19 18 ar 47 28 29 ar 48 23 24 ar 49 23 22 ar 50 24 25 ar 51 55 56 ar 52 55 59 ar 53 56 57 ar 54 29 30 ar 55 29 7 ar 56 18 17 ar 57 18 14 ar 58 25 26 ar 59 25 10 ar 60 30 60 ar 61 17 16 ar 62 22 21 ar 63 22 11 ar 64 21 13 ar 65 26 8 ar 66 59 60 ar 67 59 58 ar 68 57 16 ar 69 57 58 ar 70 60 6 ar 71 7 8 ar 72 7 6 ar 73 14 13 ar 74 14 15 ar 75 11 10 ar 76 11 12 ar 77 10 9 ar 78 16 15 ar 79 13 12 ar 80 8 9 ar 81 58 1 ar 82 6 5 ar 83 12 3 ar 84 9 4 ar 85 15 2 ar 86 4 3 ar 87 4 5 ar 88 1 5 ar 89 1 2 ar 90 3 2 ar