@MOLECULE hernanol 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1308 -0.5469 0.0812 O.3 1 UNL1111111111 -0.3969 2 O -4.7149 -0.3226 -2.0881 O.2 1 UNL1111111111 -0.4483 3 O 2.1808 -0.1646 -2.4372 O.3 1 UNL1111111111 -0.3391 4 O 1.6728 -2.7003 1.7309 O.3 1 UNL1111111111 -0.3091 5 O 1.1190 3.3661 -0.8092 O.3 1 UNL1111111111 -0.3530 6 O 3.4675 -1.3652 -0.1490 O.3 1 UNL1111111111 -0.3284 7 O 2.8071 2.4986 1.1285 O.3 1 UNL1111111111 -0.4702 8 C -2.9400 -0.2485 1.0264 C.3 1 UNL1111111111 -0.1338 9 C -2.8310 -0.3712 -0.5080 C.3 1 UNL1111111111 -0.2025 10 C -4.4054 -0.6418 1.3109 C.3 1 UNL1111111111 -0.0626 11 C -2.6576 1.1800 1.5153 C.3 1 UNL1111111111 -0.2913 12 C -2.1431 -1.6630 -0.9666 C.3 1 UNL1111111111 -0.2839 13 C -4.2724 -0.4009 -0.9787 C.2 1 UNL1111111111 0.5739 14 C -1.2048 1.5197 1.3786 C.ar 1 UNL1111111111 -0.0060 15 C -0.6634 -1.5745 -0.7409 C.ar 1 UNL1111111111 0.1141 16 C -0.0973 -2.1677 0.3822 C.ar 1 UNL1111111111 -0.3230 17 C 0.1358 -0.9201 -1.6778 C.ar 1 UNL1111111111 -0.3235 18 C -0.7633 2.2640 0.2807 C.ar 1 UNL1111111111 -0.2048 19 C -0.2995 1.0986 2.3548 C.ar 1 UNL1111111111 -0.1476 20 C 1.5166 -0.8537 -1.4710 C.ar 1 UNL1111111111 0.2507 21 C 1.2892 -2.0853 0.5879 C.ar 1 UNL1111111111 0.2576 22 C 0.5836 2.5830 0.1802 C.ar 1 UNL1111111111 0.0980 23 C 1.0508 1.4310 2.2693 C.ar 1 UNL1111111111 -0.2044 24 C 2.1072 -1.4093 -0.3270 C.ar 1 UNL1111111111 -0.0723 25 C 1.4867 2.1795 1.1797 C.ar 1 UNL1111111111 0.1978 26 C 3.4834 -0.6335 -2.7756 C.3 1 UNL1111111111 -0.1813 27 C 3.0552 -2.9827 1.9131 C.3 1 UNL1111111111 -0.1896 28 C 0.7862 2.9407 -2.1284 C.3 1 UNL1111111111 -0.1935 29 C 3.8913 -0.1361 0.4472 C.3 1 UNL1111111111 -0.2060 30 H -2.2340 -0.9483 1.5294 H 1 UNL1111111111 0.1687 31 H -2.3007 0.5071 -0.9490 H 1 UNL1111111111 0.1885 32 H -4.5136 -1.6842 1.6515 H 1 UNL1111111111 0.1372 33 H -4.9313 0.0338 2.0027 H 1 UNL1111111111 0.1456 34 H -3.2901 1.9061 0.9640 H 1 UNL1111111111 0.1559 35 H -2.9694 1.2823 2.5766 H 1 UNL1111111111 0.1529 36 H -2.3540 -1.8368 -2.0473 H 1 UNL1111111111 0.1736 37 H -2.5748 -2.5421 -0.4458 H 1 UNL1111111111 0.1580 38 H -0.7027 -2.7054 1.1061 H 1 UNL1111111111 0.1761 39 H -0.2935 -0.4777 -2.5724 H 1 UNL1111111111 0.1815 40 H -1.4614 2.6022 -0.4811 H 1 UNL1111111111 0.1665 41 H -0.6478 0.5029 3.1972 H 1 UNL1111111111 0.1564 42 H 1.7590 1.1174 3.0325 H 1 UNL1111111111 0.1731 43 H 2.9927 3.0646 0.3312 H 1 UNL1111111111 0.3422 44 H 4.2235 -0.1162 -2.1575 H 1 UNL1111111111 0.1387 45 H 3.5750 -0.3440 -3.8299 H 1 UNL1111111111 0.1413 46 H 3.5795 -1.7170 -2.6598 H 1 UNL1111111111 0.1429 47 H 3.5874 -2.0731 2.2063 H 1 UNL1111111111 0.1398 48 H 3.0338 -3.7086 2.7361 H 1 UNL1111111111 0.1420 49 H 3.5018 -3.4243 1.0165 H 1 UNL1111111111 0.1453 50 H -0.2610 3.1691 -2.3463 H 1 UNL1111111111 0.1324 51 H 0.9956 1.8730 -2.2657 H 1 UNL1111111111 0.1508 52 H 1.4540 3.5484 -2.7508 H 1 UNL1111111111 0.1470 53 H 3.3891 0.0341 1.4056 H 1 UNL1111111111 0.1421 54 H 4.9664 -0.2890 0.5849 H 1 UNL1111111111 0.1419 55 H 3.6923 0.7045 -0.2254 H 1 UNL1111111111 0.1389 @BOND 1 1 10 1 2 1 13 1 3 2 13 2 4 3 20 1 5 3 26 1 6 4 21 1 7 4 27 1 8 5 22 1 9 5 28 1 10 6 24 1 11 6 29 1 12 7 25 1 13 7 43 1 14 8 9 1 15 8 10 1 16 8 11 1 17 8 30 1 18 9 12 1 19 9 13 1 20 9 31 1 21 10 32 1 22 10 33 1 23 11 14 1 24 11 34 1 25 11 35 1 26 12 15 1 27 12 36 1 28 12 37 1 29 14 18 ar 30 14 19 ar 31 15 16 ar 32 15 17 ar 33 16 21 ar 34 16 38 1 35 17 20 ar 36 17 39 1 37 18 22 ar 38 18 40 1 39 19 23 ar 40 19 41 1 41 20 24 ar 42 21 24 ar 43 22 25 ar 44 23 25 ar 45 23 42 1 46 26 44 1 47 26 45 1 48 26 46 1 49 27 47 1 50 27 48 1 51 27 49 1 52 28 50 1 53 28 51 1 54 28 52 1 55 29 53 1 56 29 54 1 57 29 55 1