@MOLECULE dactylol 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6513 -1.6801 1.2235 O.3 1 UNL111111111 -0.5669 2 C 0.8586 0.4035 -0.0552 C.3 1 UNL111111111 -0.1829 3 C 0.8750 -1.1482 -0.0673 C.3 1 UNL111111111 0.3134 4 C 2.2860 0.7817 0.4064 C.3 1 UNL111111111 -0.0938 5 C 2.3140 -1.5242 -0.5053 C.3 1 UNL111111111 -0.3500 6 C -0.2392 0.9987 0.8268 C.3 1 UNL111111111 -0.3091 7 C 3.2038 -0.3129 -0.1864 C.3 1 UNL111111111 -0.2846 8 C -1.3954 1.6477 0.0306 C.3 1 UNL111111111 0.1222 9 C -0.2001 -1.7974 -0.9507 C.3 1 UNL111111111 -0.3255 10 C 2.6858 2.1776 -0.0624 C.3 1 UNL111111111 -0.4522 11 C -1.9878 0.6637 -1.0104 C.3 1 UNL111111111 -0.2896 12 C -1.5623 -1.7170 -0.3269 C.2 1 UNL111111111 0.0659 13 C -0.8975 2.9059 -0.7025 C.3 1 UNL111111111 -0.4708 14 C -2.4924 2.0632 1.0278 C.3 1 UNL111111111 -0.4662 15 C -2.3543 -0.6378 -0.3785 C.2 1 UNL111111111 -0.2292 16 C -1.9937 -2.9570 0.3881 C.3 1 UNL111111111 -0.4556 17 H 0.7259 0.7506 -1.1065 H 1 UNL111111111 0.1521 18 H 2.3385 0.7438 1.5178 H 1 UNL111111111 0.1274 19 H 2.3485 -1.7703 -1.5775 H 1 UNL111111111 0.1448 20 H 2.6449 -2.4311 0.0273 H 1 UNL111111111 0.1553 21 H -0.6641 0.2033 1.4790 H 1 UNL111111111 0.1686 22 H 0.1851 1.7513 1.5155 H 1 UNL111111111 0.1373 23 H 4.0069 -0.5745 0.5190 H 1 UNL111111111 0.1342 24 H 3.7086 0.0481 -1.0978 H 1 UNL111111111 0.1403 25 H 0.0745 -2.8595 -1.1248 H 1 UNL111111111 0.1569 26 H -0.1983 -1.3189 -1.9502 H 1 UNL111111111 0.1511 27 H 2.6709 2.2598 -1.1549 H 1 UNL111111111 0.1446 28 H 1.9970 2.9362 0.3296 H 1 UNL111111111 0.1485 29 H 3.6946 2.4376 0.2761 H 1 UNL111111111 0.1430 30 H -1.2666 0.5183 -1.8379 H 1 UNL111111111 0.1385 31 H -2.8789 1.1239 -1.4825 H 1 UNL111111111 0.1398 32 H 1.2500 -1.2701 1.8759 H 1 UNL111111111 0.3151 33 H -0.0840 2.6736 -1.3970 H 1 UNL111111111 0.1428 34 H -1.7016 3.3749 -1.2778 H 1 UNL111111111 0.1434 35 H -0.5195 3.6511 0.0048 H 1 UNL111111111 0.1436 36 H -3.3394 2.5300 0.5159 H 1 UNL111111111 0.1428 37 H -2.8766 1.1956 1.5759 H 1 UNL111111111 0.1498 38 H -2.1132 2.7788 1.7635 H 1 UNL111111111 0.1414 39 H -3.3387 -0.6470 0.0849 H 1 UNL111111111 0.1444 40 H -2.0434 -3.8193 -0.2883 H 1 UNL111111111 0.1478 41 H -2.9746 -2.8558 0.8669 H 1 UNL111111111 0.1457 42 H -1.2671 -3.2008 1.1832 H 1 UNL111111111 0.1755 @BOND 1 1 3 1 2 1 32 1 3 2 3 1 4 2 4 1 5 2 6 1 6 2 17 1 7 3 5 1 8 3 9 1 9 4 7 1 10 4 10 1 11 4 18 1 12 5 7 1 13 5 19 1 14 5 20 1 15 6 8 1 16 6 21 1 17 6 22 1 18 7 23 1 19 7 24 1 20 8 11 1 21 8 13 1 22 8 14 1 23 9 12 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 10 29 1 29 11 15 1 30 11 30 1 31 11 31 1 32 12 15 2 33 12 16 1 34 13 33 1 35 13 34 1 36 13 35 1 37 14 36 1 38 14 37 1 39 14 38 1 40 15 39 1 41 16 40 1 42 16 41 1 43 16 42 1