@MOLECULE malibatol b 57 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1833 2.3066 -1.2308 O.2 1 UNL11 -0.2061 2 O 4.1506 -1.6517 -0.8174 O.3 1 UNL11 -0.5644 3 O 1.1876 -4.3675 0.7313 O.3 1 UNL11 -0.4799 4 O -2.4183 -0.9722 -1.5872 O.3 1 UNL11 -0.4264 5 O 4.4122 3.0348 -2.2770 O.3 1 UNL11 -0.4669 6 O -3.1668 -3.5356 -1.1466 O.3 1 UNL11 -0.4819 7 O 2.3577 2.3121 4.1686 O.3 1 UNL11 -0.4795 8 O -4.6056 0.1985 1.9783 O.3 1 UNL11 -0.4510 9 O -6.1703 1.9495 0.5914 O.3 1 UNL11 -0.4945 10 C 2.0138 -1.8148 0.3506 C.3 1 UNL11 -0.1314 11 C 2.7571 -1.4382 -0.9685 C.3 1 UNL11 0.1414 12 C 0.6200 -2.2292 -0.0289 C.ar 1 UNL11 -0.1252 13 C 2.5784 0.0095 -1.3162 C.ar 1 UNL11 0.0954 14 C 1.3003 0.5588 -1.2314 C.ar 1 UNL11 -0.1599 15 C -0.0051 0.0436 -0.8650 C.ar 1 UNL11 -0.0893 16 C -0.3076 -1.3464 -0.6138 C.ar 1 UNL11 0.0430 17 C 2.0646 -0.7280 1.3932 C.ar 1 UNL11 -0.0608 18 C 1.1259 1.9449 -1.4566 C.ar 1 UNL11 0.2074 19 C -0.8466 1.1306 -0.8518 C.ar 1 UNL11 0.1750 20 C 0.2394 -3.5614 0.1790 C.ar 1 UNL11 0.2786 21 C 3.6348 0.8339 -1.6806 C.ar 1 UNL11 -0.3303 22 C -1.5667 -1.8441 -0.9878 C.ar 1 UNL11 0.1195 23 C 2.1473 2.8072 -1.8149 C.ar 1 UNL11 -0.3168 24 C 3.4014 2.2004 -1.9240 C.ar 1 UNL11 0.3241 25 C -1.0183 -4.0663 -0.1624 C.ar 1 UNL11 -0.3952 26 C -1.9132 -3.1854 -0.7541 C.ar 1 UNL11 0.2173 27 C 3.2749 -0.0571 1.6193 C.ar 1 UNL11 -0.0994 28 C 0.9425 -0.3952 2.1519 C.ar 1 UNL11 -0.0800 29 C -2.2262 1.3659 -0.4931 C.ar 1 UNL11 -0.0068 30 C 3.3589 0.9631 2.5550 C.ar 1 UNL11 -0.2461 31 C 0.9980 0.6278 3.0968 C.ar 1 UNL11 -0.3072 32 C -2.7795 0.6675 0.5888 C.ar 1 UNL11 -0.1586 33 C -2.9887 2.2873 -1.2167 C.ar 1 UNL11 -0.1191 34 C 2.2071 1.2968 3.2754 C.ar 1 UNL11 0.2836 35 C -4.1084 0.8963 0.9249 C.ar 1 UNL11 0.1880 36 C -4.3227 2.5170 -0.8796 C.ar 1 UNL11 -0.2428 37 C -4.8753 1.8177 0.1859 C.ar 1 UNL11 0.1506 38 H 2.5615 -2.6954 0.7970 H 1 UNL11 0.1759 39 H 2.4094 -2.0874 -1.8100 H 1 UNL11 0.1414 40 H 4.6412 0.4272 -1.7537 H 1 UNL11 0.1838 41 H 2.0049 3.8670 -1.9840 H 1 UNL11 0.1941 42 H 4.3259 -2.5745 -0.5495 H 1 UNL11 0.3206 43 H -1.2793 -5.0988 0.0230 H 1 UNL11 0.1657 44 H 4.1620 -0.3288 1.0408 H 1 UNL11 0.1730 45 H 0.0032 -0.9303 2.0076 H 1 UNL11 0.1576 46 H 4.2846 1.5035 2.7293 H 1 UNL11 0.1724 47 H 0.1179 0.8960 3.6693 H 1 UNL11 0.1603 48 H 0.8472 -5.2760 0.9084 H 1 UNL11 0.3304 49 H -2.1884 -0.0490 1.1596 H 1 UNL11 0.1853 50 H -2.5391 2.8246 -2.0523 H 1 UNL11 0.1688 51 H -3.2787 -1.4179 -1.8111 H 1 UNL11 0.3350 52 H 5.2853 2.5716 -2.2968 H 1 UNL11 0.3286 53 H -3.3428 -4.4973 -1.0095 H 1 UNL11 0.3390 54 H -4.9162 3.2290 -1.4450 H 1 UNL11 0.1609 55 H 1.5156 2.5256 4.6346 H 1 UNL11 0.3247 56 H -5.5523 0.4453 2.1484 H 1 UNL11 0.3389 57 H -6.6389 2.6626 0.0955 H 1 UNL11 0.3389 @BOND 1 1 18 ar 2 1 19 ar 3 2 11 1 4 2 42 1 5 3 20 1 6 3 48 1 7 4 22 1 8 4 51 1 9 5 24 1 10 5 52 1 11 6 26 1 12 6 53 1 13 7 34 1 14 7 55 1 15 8 35 1 16 8 56 1 17 9 37 1 18 9 57 1 19 10 11 1 20 10 12 1 21 10 17 1 22 10 38 1 23 11 13 1 24 11 39 1 25 12 16 ar 26 12 20 ar 27 13 14 ar 28 13 21 ar 29 14 15 ar 30 14 18 ar 31 15 16 1 32 15 19 ar 33 16 22 ar 34 17 27 ar 35 17 28 ar 36 18 23 ar 37 19 29 1 38 20 25 ar 39 21 24 ar 40 21 40 1 41 22 26 ar 42 23 24 ar 43 23 41 1 44 25 26 ar 45 25 43 1 46 27 30 ar 47 27 44 1 48 28 31 ar 49 28 45 1 50 29 32 ar 51 29 33 ar 52 30 34 ar 53 30 46 1 54 31 34 ar 55 31 47 1 56 32 35 ar 57 32 49 1 58 33 36 ar 59 33 50 1 60 35 37 ar 61 36 37 ar 62 36 54 1