@MOLECULE (-)-secoisolariciresinol 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4460 -1.6514 2.2744 O.3 1 UNL1111111111 -0.5457 2 O 0.4377 2.5398 1.6212 O.3 1 UNL1111111111 -0.5471 3 O -6.1939 -1.3266 -0.8427 O.3 1 UNL1111111111 -0.3452 4 O 5.9156 1.1942 -1.1947 O.3 1 UNL1111111111 -0.3026 5 O -7.0522 1.0080 0.2046 O.3 1 UNL1111111111 -0.4543 6 O 6.8759 -1.0026 0.3828 O.3 1 UNL1111111111 -0.4778 7 C -0.8005 0.0987 0.6054 C.3 1 UNL1111111111 -0.1561 8 C 0.7097 0.3900 0.5179 C.3 1 UNL1111111111 -0.1587 9 C -1.5305 0.3629 -0.7249 C.3 1 UNL1111111111 -0.2895 10 C 1.3807 -0.2841 -0.6946 C.3 1 UNL1111111111 -0.2944 11 C -1.0645 -1.3544 1.0407 C.3 1 UNL1111111111 -0.0148 12 C 0.9682 1.9069 0.4766 C.3 1 UNL1111111111 -0.0102 13 C -3.0036 0.5092 -0.4914 C.ar 1 UNL1111111111 0.0019 14 C 2.8386 -0.4968 -0.4232 C.ar 1 UNL1111111111 0.0172 15 C -3.8663 -0.5504 -0.7945 C.ar 1 UNL1111111111 -0.2501 16 C 3.7759 0.4090 -0.9197 C.ar 1 UNL1111111111 -0.2399 17 C -3.5047 1.6991 0.0355 C.ar 1 UNL1111111111 -0.1662 18 C 3.2543 -1.5873 0.3415 C.ar 1 UNL1111111111 -0.1934 19 C -5.2267 -0.4024 -0.5638 C.ar 1 UNL1111111111 0.1111 20 C 5.1357 0.2328 -0.6440 C.ar 1 UNL1111111111 0.1861 21 C -4.8706 1.8557 0.2659 C.ar 1 UNL1111111111 -0.1839 22 C 4.6061 -1.7727 0.6247 C.ar 1 UNL1111111111 -0.2170 23 C -5.7302 0.8038 -0.0336 C.ar 1 UNL1111111111 0.1871 24 C 5.5408 -0.8655 0.1364 C.ar 1 UNL1111111111 0.1364 25 C -5.7575 -2.6732 -0.9653 C.3 1 UNL1111111111 -0.1862 26 C 7.3196 1.1163 -0.9791 C.3 1 UNL1111111111 -0.1910 27 H -1.2256 0.7795 1.3921 H 1 UNL1111111111 0.1780 28 H 1.1876 -0.0021 1.4533 H 1 UNL1111111111 0.1414 29 H -1.3170 -0.4413 -1.4548 H 1 UNL1111111111 0.1436 30 H -1.1341 1.2887 -1.1941 H 1 UNL1111111111 0.1577 31 H 0.8903 -1.2552 -0.9138 H 1 UNL1111111111 0.1553 32 H 1.2256 0.3218 -1.6095 H 1 UNL1111111111 0.1550 33 H -2.1383 -1.5133 1.2648 H 1 UNL1111111111 0.1504 34 H -0.7354 -2.0886 0.2866 H 1 UNL1111111111 0.1078 35 H 2.0490 2.1319 0.4119 H 1 UNL1111111111 0.1256 36 H 0.4368 2.4119 -0.3502 H 1 UNL1111111111 0.1412 37 H -3.4702 -1.4710 -1.2103 H 1 UNL1111111111 0.1603 38 H 3.4694 1.2583 -1.5284 H 1 UNL1111111111 0.1756 39 H -2.8235 2.5155 0.2771 H 1 UNL1111111111 0.1670 40 H 2.5256 -2.3019 0.7158 H 1 UNL1111111111 0.1541 41 H 0.5275 -1.6014 2.1981 H 1 UNL1111111111 0.3067 42 H 0.7762 2.1256 2.4387 H 1 UNL1111111111 0.3135 43 H -5.2730 2.7797 0.6777 H 1 UNL1111111111 0.1772 44 H 4.9267 -2.6231 1.2214 H 1 UNL1111111111 0.1589 45 H -7.5788 0.1935 -0.0020 H 1 UNL1111111111 0.3357 46 H 7.0571 -1.7840 0.9597 H 1 UNL1111111111 0.3263 47 H -5.1829 -2.9867 -0.0880 H 1 UNL1111111111 0.1370 48 H -5.1842 -2.8045 -1.8884 H 1 UNL1111111111 0.1319 49 H -6.7075 -3.2218 -1.0223 H 1 UNL1111111111 0.1504 50 H 7.5552 1.1936 0.0876 H 1 UNL1111111111 0.1442 51 H 7.6831 1.9967 -1.5249 H 1 UNL1111111111 0.1456 52 H 7.7297 0.1954 -1.4068 H 1 UNL1111111111 0.1439 @BOND 1 1 11 1 2 1 41 1 3 2 12 1 4 2 42 1 5 3 19 1 6 3 25 1 7 4 20 1 8 4 26 1 9 5 23 1 10 5 45 1 11 6 24 1 12 6 46 1 13 7 8 1 14 7 9 1 15 7 11 1 16 7 27 1 17 8 10 1 18 8 12 1 19 8 28 1 20 9 13 1 21 9 29 1 22 9 30 1 23 10 14 1 24 10 31 1 25 10 32 1 26 11 33 1 27 11 34 1 28 12 35 1 29 12 36 1 30 13 15 ar 31 13 17 ar 32 14 16 ar 33 14 18 ar 34 15 19 ar 35 15 37 1 36 16 20 ar 37 16 38 1 38 17 21 ar 39 17 39 1 40 18 22 ar 41 18 40 1 42 19 23 ar 43 20 24 ar 44 21 23 ar 45 21 43 1 46 22 24 ar 47 22 44 1 48 25 47 1 49 25 48 1 50 25 49 1 51 26 50 1 52 26 51 1 53 26 52 1