@MOLECULE (s)-5-hydroxy-dpat 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1104 -0.4383 -1.7609 O.3 1 UNL1111111111 -0.4784 2 N 2.0529 -0.0082 -0.1626 N.3 1 UNL1111111111 -0.4729 3 C 0.5905 0.1537 -0.2805 C.3 1 UNL1111111111 0.0737 4 C 0.0334 -0.8990 -1.2607 C.3 1 UNL1111111111 -0.2863 5 C -0.1889 0.0568 1.0546 C.3 1 UNL1111111111 -0.3491 6 C -1.4121 -0.5378 -1.6119 C.3 1 UNL1111111111 -0.2549 7 C -1.6674 0.1108 0.8345 C.ar 1 UNL1111111111 0.0671 8 C -2.2246 -0.1914 -0.4072 C.ar 1 UNL1111111111 -0.1018 9 C 2.4771 -1.2291 0.5577 C.3 1 UNL1111111111 -0.1023 10 C 2.7090 1.2088 0.3726 C.3 1 UNL1111111111 -0.1056 11 C 3.8136 -1.7089 -0.0461 C.3 1 UNL1111111111 -0.2596 12 C 2.9478 2.1896 -0.7937 C.3 1 UNL1111111111 -0.2577 13 C -2.4945 0.4474 1.9162 C.ar 1 UNL1111111111 -0.2484 14 C -3.6240 -0.1412 -0.5238 C.ar 1 UNL1111111111 0.2681 15 C -3.8753 0.4852 1.7686 C.ar 1 UNL1111111111 -0.0730 16 C -4.4615 0.1885 0.5381 C.ar 1 UNL1111111111 -0.3186 17 C 4.2622 -3.0063 0.6206 C.3 1 UNL1111111111 -0.4433 18 C 3.7121 3.4176 -0.3066 C.3 1 UNL1111111111 -0.4433 19 H 0.4080 1.1722 -0.7210 H 1 UNL1111111111 0.1450 20 H 0.0805 -1.9108 -0.8207 H 1 UNL1111111111 0.1416 21 H 0.6624 -0.9333 -2.1704 H 1 UNL1111111111 0.1562 22 H 0.1372 0.8676 1.7345 H 1 UNL1111111111 0.1526 23 H 0.0608 -0.8903 1.5764 H 1 UNL1111111111 0.1610 24 H -1.8861 -1.3789 -2.1642 H 1 UNL1111111111 0.1608 25 H -1.4328 0.3172 -2.3231 H 1 UNL1111111111 0.1557 26 H 2.5835 -1.0698 1.6509 H 1 UNL1111111111 0.1119 27 H 1.7157 -2.0285 0.4267 H 1 UNL1111111111 0.1387 28 H 2.1178 1.6993 1.1734 H 1 UNL1111111111 0.1149 29 H 3.6872 0.9393 0.8259 H 1 UNL1111111111 0.1342 30 H 3.6919 -1.8493 -1.1378 H 1 UNL1111111111 0.1504 31 H 4.5870 -0.9273 0.0626 H 1 UNL1111111111 0.1371 32 H 3.5058 1.6725 -1.5982 H 1 UNL1111111111 0.1497 33 H 1.9853 2.4875 -1.2488 H 1 UNL1111111111 0.1398 34 H -2.0485 0.6798 2.8797 H 1 UNL1111111111 0.1557 35 H -4.5067 0.7478 2.6162 H 1 UNL1111111111 0.1471 36 H -5.5373 0.2164 0.4167 H 1 UNL1111111111 0.1582 37 H 4.4042 -2.8782 1.6992 H 1 UNL1111111111 0.1404 38 H 3.5299 -3.8083 0.4745 H 1 UNL1111111111 0.1429 39 H 5.2144 -3.3545 0.2042 H 1 UNL1111111111 0.1423 40 H 3.1620 3.9504 0.4770 H 1 UNL1111111111 0.1415 41 H 4.6925 3.1472 0.1007 H 1 UNL1111111111 0.1409 42 H 3.8835 4.1256 -1.1256 H 1 UNL1111111111 0.1427 43 H -5.0961 -0.4126 -1.7855 H 1 UNL1111111111 0.3252 @BOND 1 1 14 1 2 1 43 1 3 2 3 1 4 2 9 1 5 2 10 1 6 3 4 1 7 3 5 1 8 3 19 1 9 4 6 1 10 4 20 1 11 4 21 1 12 5 7 1 13 5 22 1 14 5 23 1 15 6 8 1 16 6 24 1 17 6 25 1 18 7 8 ar 19 7 13 ar 20 8 14 ar 21 9 11 1 22 9 26 1 23 9 27 1 24 10 12 1 25 10 28 1 26 10 29 1 27 11 17 1 28 11 30 1 29 11 31 1 30 12 18 1 31 12 32 1 32 12 33 1 33 13 15 ar 34 13 34 1 35 14 16 ar 36 15 16 ar 37 15 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 17 39 1 42 18 40 1 43 18 41 1 44 18 42 1