@MOLECULE epi-sesamin 44 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4727 0.4727 0.8889 O.3 1 UNL1111111111 -0.3912 2 O 1.5698 -2.5349 -0.6035 O.3 1 UNL1111111111 -0.3993 3 O -5.1066 2.2129 -0.1019 O.3 1 UNL1111111111 -0.3395 4 O 5.2976 0.0372 1.6394 O.3 1 UNL1111111111 -0.3357 5 O -6.6218 0.4054 -0.1307 O.3 1 UNL1111111111 -0.3427 6 O 5.9812 1.7680 0.1892 O.3 1 UNL1111111111 -0.3427 7 C -0.5903 -1.6264 -0.2108 C.3 1 UNL1111111111 -0.1873 8 C 0.1838 -0.6475 -1.1338 C.3 1 UNL1111111111 -0.1813 9 C -1.2198 -0.7320 0.8731 C.3 1 UNL1111111111 0.1038 10 C 1.5609 -1.3199 -1.3453 C.3 1 UNL1111111111 0.1015 11 C 0.1581 0.6851 -0.3710 C.3 1 UNL1111111111 -0.0465 12 C 0.4999 -2.5576 0.3319 C.3 1 UNL1111111111 -0.0471 13 C -2.6776 -0.4584 0.6040 C.ar 1 UNL1111111111 -0.0527 14 C 2.7432 -0.4765 -0.9574 C.ar 1 UNL1111111111 -0.0453 15 C -3.1021 0.8662 0.3870 C.ar 1 UNL1111111111 -0.1799 16 C 3.4159 -0.7386 0.2514 C.ar 1 UNL1111111111 -0.1729 17 C -3.5744 -1.5243 0.5987 C.ar 1 UNL1111111111 -0.1816 18 C 3.1524 0.5400 -1.8184 C.ar 1 UNL1111111111 -0.1834 19 C -4.4432 1.0370 0.1473 C.ar 1 UNL1111111111 0.1272 20 C 4.4850 0.0755 0.5335 C.ar 1 UNL1111111111 0.1269 21 C -4.9473 -1.3398 0.3554 C.ar 1 UNL1111111111 -0.1783 22 C 4.2485 1.3691 -1.5207 C.ar 1 UNL1111111111 -0.1787 23 C -5.3515 -0.0467 0.1295 C.ar 1 UNL1111111111 0.1205 24 C 4.8944 1.1134 -0.3356 C.ar 1 UNL1111111111 0.1245 25 C -6.4919 1.8378 -0.2746 C.3 1 UNL1111111111 0.1578 26 C 6.2547 1.1026 1.4434 C.3 1 UNL1111111111 0.1574 27 H -1.3553 -2.1949 -0.7737 H 1 UNL1111111111 0.1562 28 H -0.3251 -0.5325 -2.1124 H 1 UNL1111111111 0.1482 29 H -1.0850 -1.1248 1.9083 H 1 UNL1111111111 0.1543 30 H 1.6765 -1.6808 -2.3974 H 1 UNL1111111111 0.1451 31 H 1.1493 1.0880 -0.1014 H 1 UNL1111111111 0.1545 32 H -0.4227 1.4577 -0.9018 H 1 UNL1111111111 0.1259 33 H 0.8975 -2.2302 1.3085 H 1 UNL1111111111 0.1342 34 H 0.2048 -3.6172 0.3800 H 1 UNL1111111111 0.1358 35 H -2.4041 1.7004 0.4226 H 1 UNL1111111111 0.1924 36 H 3.1054 -1.5455 0.9108 H 1 UNL1111111111 0.1894 37 H -3.2161 -2.5351 0.7899 H 1 UNL1111111111 0.1591 38 H 2.6163 0.7065 -2.7518 H 1 UNL1111111111 0.1596 39 H -5.6410 -2.1738 0.3500 H 1 UNL1111111111 0.1731 40 H 4.5616 2.1605 -2.1932 H 1 UNL1111111111 0.1734 41 H -6.7843 2.0995 -1.3007 H 1 UNL1111111111 0.1407 42 H -7.0701 2.3098 0.5320 H 1 UNL1111111111 0.1424 43 H 7.2523 0.6483 1.3710 H 1 UNL1111111111 0.1408 44 H 6.1106 1.8349 2.2497 H 1 UNL1111111111 0.1413 @BOND 1 1 9 1 2 1 11 1 3 2 10 1 4 2 12 1 5 3 19 1 6 3 25 1 7 4 20 1 8 4 26 1 9 5 23 1 10 5 25 1 11 6 24 1 12 6 26 1 13 7 8 1 14 7 9 1 15 7 12 1 16 7 27 1 17 8 10 1 18 8 11 1 19 8 28 1 20 9 13 1 21 9 29 1 22 10 14 1 23 10 30 1 24 11 31 1 25 11 32 1 26 12 33 1 27 12 34 1 28 13 15 ar 29 13 17 ar 30 14 16 ar 31 14 18 ar 32 15 19 ar 33 15 35 1 34 16 20 ar 35 16 36 1 36 17 21 ar 37 17 37 1 38 18 22 ar 39 18 38 1 40 19 23 ar 41 20 24 ar 42 21 23 ar 43 21 39 1 44 22 24 ar 45 22 40 1 46 25 41 1 47 25 42 1 48 26 43 1 49 26 44 1