@MOLECULE hyperibone b 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4539 2.0683 -0.3222 O.2 1 UNL111111 -0.3090 2 O 2.2433 -0.3287 -1.5730 O.2 1 UNL111111 -0.4534 3 O 0.5427 -0.9553 2.5578 O.2 1 UNL111111 -0.4295 4 O 2.5743 -2.9714 0.9506 O.2 1 UNL111111 -0.3931 5 O -3.8396 0.8931 0.9575 O.3 1 UNL111111 -0.5765 6 C -0.0084 -2.4144 -0.2577 C.3 1 UNL111111 0.1498 7 C 0.9843 -1.2949 0.2333 C.3 1 UNL111111 -0.3269 8 C -0.0269 0.4058 -1.3957 C.3 1 UNL111111 -0.0930 9 C -1.2896 -1.7264 -0.8235 C.3 1 UNL111111 -0.1459 10 C -0.9887 -0.6817 -1.9166 C.3 1 UNL111111 -0.2876 11 C 1.2113 -0.3799 -0.9577 C.2 1 UNL111111 0.4950 12 C -0.6170 1.0232 -0.1822 C.2 1 UNL111111 0.2925 13 C 0.3469 -0.5537 1.4387 C.2 1 UNL111111 0.5156 14 C -0.4528 0.5905 1.0941 C.2 1 UNL111111 -0.3623 15 C 0.3120 1.4504 -2.4689 C.3 1 UNL111111 -0.2726 16 C 0.6734 -3.2686 -1.3287 C.3 1 UNL111111 -0.4724 17 C -0.4064 -3.2968 0.9299 C.3 1 UNL111111 -0.4756 18 C -2.3145 -2.7351 -1.3870 C.3 1 UNL111111 -0.2962 19 C 2.3290 -1.8183 0.7313 C.2 1 UNL111111 0.5057 20 C -1.2793 1.4373 2.0080 C.3 1 UNL111111 -0.2418 21 C -1.9610 2.4108 1.0138 C.3 1 UNL111111 0.0292 22 C -3.4985 2.2629 0.9302 C.3 1 UNL111111 0.3184 23 C 0.9959 2.6116 -1.8499 C.2 1 UNL111111 -0.1233 24 C -3.6390 -2.0838 -1.5218 C.2 1 UNL111111 -0.1325 25 C 3.3787 -0.7700 0.9048 C.ar 1 UNL111111 -0.1334 26 C -4.0362 2.8862 -0.3572 C.3 1 UNL111111 -0.5051 27 C -4.1556 2.8529 2.1760 C.3 1 UNL111111 -0.4785 28 C 2.4123 2.6694 -1.7567 C.2 1 UNL111111 -0.7231 29 C -4.4278 -1.7455 -0.3857 C.2 1 UNL111111 -0.6547 30 C 3.3428 0.0849 2.0296 C.ar 1 UNL111111 -0.1445 31 C 4.3897 -0.7115 -0.0887 C.ar 1 UNL111111 -0.1051 32 C 3.0533 3.8212 -1.2329 C.3 1 UNL111111 0.1463 33 C 3.3230 1.7517 -2.1086 C.3 1 UNL111111 0.5489 34 C -5.6040 -1.0568 -0.6087 C.3 1 UNL111111 0.2914 35 C -3.9765 -2.1478 0.8532 C.3 1 UNL111111 0.3074 36 C 4.3544 1.0134 2.0672 C.ar 1 UNL111111 0.0008 37 C 5.3213 0.2753 0.1099 C.ar 1 UNL111111 -0.0080 38 C 5.2871 1.0920 1.1397 C.ar 1 UNL111111 -0.0495 39 H -1.7829 -1.2060 0.0411 H 1 UNL111111 0.1545 40 H -0.5559 -1.1677 -2.8134 H 1 UNL111111 0.1693 41 H -1.9323 -0.2131 -2.2584 H 1 UNL111111 0.1597 42 H 0.9361 0.9823 -3.2616 H 1 UNL111111 0.1646 43 H -0.6167 1.7810 -2.9819 H 1 UNL111111 0.1623 44 H -0.0081 -4.0235 -1.7354 H 1 UNL111111 0.1494 45 H 1.5287 -3.8209 -0.9118 H 1 UNL111111 0.1751 46 H 1.0480 -2.6757 -2.1678 H 1 UNL111111 0.1512 47 H -0.9475 -4.1927 0.6103 H 1 UNL111111 0.1473 48 H -1.0378 -2.7693 1.6572 H 1 UNL111111 0.1626 49 H 0.4784 -3.6510 1.4845 H 1 UNL111111 0.1861 50 H -1.9675 -3.1331 -2.3621 H 1 UNL111111 0.1587 51 H -2.3821 -3.6217 -0.7192 H 1 UNL111111 0.1662 52 H -0.6681 1.9660 2.7608 H 1 UNL111111 0.1643 53 H -2.0170 0.8285 2.5706 H 1 UNL111111 0.1821 54 H -1.6523 3.4635 1.1499 H 1 UNL111111 0.1511 55 H 0.3948 3.4177 -1.4604 H 1 UNL111111 0.1519 56 H -3.9989 -1.8579 -2.5150 H 1 UNL111111 0.1473 57 H -3.8425 3.9625 -0.4032 H 1 UNL111111 0.1593 58 H -5.1212 2.7362 -0.4338 H 1 UNL111111 0.1657 59 H -3.5854 2.4345 -1.2497 H 1 UNL111111 0.1628 60 H -4.0212 3.9365 2.2341 H 1 UNL111111 0.1522 61 H -5.2353 2.6455 2.1731 H 1 UNL111111 0.1692 62 H -3.7569 2.3999 3.0926 H 1 UNL111111 0.1628 63 H 2.5903 -0.0047 2.8121 H 1 UNL111111 0.2008 64 H 4.3976 -1.3878 -0.9389 H 1 UNL111111 0.1914 65 H -3.4520 0.4199 0.1958 H 1 UNL111111 0.3246 @BOND 1 43 15 1 2 42 15 1 3 33 28 1 4 15 23 1 5 15 8 1 6 28 23 2 7 28 32 1 8 23 55 1 9 59 26 1 10 57 26 1 11 40 10 1 12 41 10 1 13 58 26 1 14 26 22 1 15 56 24 1 16 10 8 1 17 10 9 1 18 8 11 1 19 8 12 1 20 1 12 1 21 1 21 1 22 2 11 2 23 50 18 1 24 46 16 1 25 11 7 1 26 12 14 2 27 24 18 1 28 24 29 2 29 54 21 1 30 34 29 1 31 22 21 1 32 22 5 1 33 22 27 1 34 21 20 1 35 64 31 1 36 18 9 1 37 18 51 1 38 65 5 1 39 9 39 1 40 9 6 1 41 37 31 ar 42 37 38 ar 43 44 16 1 44 60 27 1 45 16 6 1 46 16 45 1 47 29 35 1 48 31 25 ar 49 38 36 ar 50 27 61 1 51 27 62 1 52 14 20 1 53 14 13 1 54 7 6 1 55 7 19 1 56 7 13 1 57 6 17 1 58 20 52 1 59 20 53 1 60 25 19 1 61 25 30 ar 62 19 4 2 63 36 30 ar 64 13 3 2 65 30 63 1 66 17 47 1 67 17 48 1 68 17 49 1