@MOLECULE methyl (16z)-16-(methoxymethylene)coryn-18-en-17-oate 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8927 1.2188 -0.5154 O.3 1 UNL1111111111 -0.3844 2 O -3.8244 1.6430 1.7487 O.2 1 UNL1111111111 -0.2575 3 O -3.3613 1.2219 -2.1524 O.2 1 UNL1111111111 -0.5299 4 N 0.7243 -1.9799 0.0539 N.3 1 UNL1111111111 -0.4340 5 N 2.6154 1.1695 -0.7555 N.ar 1 UNL1111111111 -0.3907 6 C 0.8517 -0.6893 -0.6891 C.3 1 UNL1111111111 0.0543 7 C -1.6355 -0.3738 -0.4728 C.3 1 UNL1111111111 -0.0736 8 C -0.2595 0.2464 -0.1673 C.3 1 UNL1111111111 -0.2860 9 C -1.7187 -1.7849 0.1580 C.3 1 UNL1111111111 -0.1337 10 C -0.5345 -2.6534 -0.3391 C.3 1 UNL1111111111 -0.1142 11 C 2.2089 -0.1268 -0.4259 C.ar 1 UNL1111111111 0.0549 12 C 1.9029 -2.8601 -0.1377 C.3 1 UNL1111111111 -0.1039 13 C 3.2683 -0.8269 0.1296 C.ar 1 UNL1111111111 -0.1077 14 C 3.1293 -2.2281 0.5685 C.3 1 UNL1111111111 -0.2514 15 C -2.7313 0.5153 0.0431 C.2 1 UNL1111111111 -0.2832 16 C 4.3943 0.0576 0.1754 C.ar 1 UNL1111111111 -0.0792 17 C -3.0029 -2.4532 -0.2268 C.2 1 UNL1111111111 -0.1294 18 C 3.9537 1.3048 -0.3823 C.ar 1 UNL1111111111 0.1098 19 C 5.7143 -0.0625 0.6188 C.ar 1 UNL1111111111 -0.1051 20 C -3.6352 1.0196 -0.9922 C.2 1 UNL1111111111 0.6211 21 C -2.8314 0.8133 1.3538 C.2 1 UNL1111111111 0.1439 22 C 4.8090 2.4086 -0.4934 C.ar 1 UNL1111111111 -0.2135 23 C -3.8388 -2.9842 0.6642 C.2 1 UNL1111111111 -0.3253 24 C 6.5548 1.0304 0.5069 C.ar 1 UNL1111111111 -0.1970 25 C 6.1063 2.2504 -0.0424 C.ar 1 UNL1111111111 -0.1177 26 C -5.8419 1.6921 -1.4657 C.3 1 UNL1111111111 -0.1786 27 C -3.8310 1.9278 3.1470 C.3 1 UNL1111111111 -0.2234 28 H 0.7281 -0.8354 -1.7989 H 1 UNL1111111111 0.1343 29 H -1.7331 -0.4758 -1.5877 H 1 UNL1111111111 0.1670 30 H -0.1265 0.3947 0.9212 H 1 UNL1111111111 0.1578 31 H -0.1851 1.2423 -0.6370 H 1 UNL1111111111 0.1443 32 H -1.6296 -1.6911 1.2677 H 1 UNL1111111111 0.1546 33 H -0.5786 -3.6451 0.1602 H 1 UNL1111111111 0.1403 34 H -0.6141 -2.8330 -1.4313 H 1 UNL1111111111 0.1193 35 H 2.1375 -3.0371 -1.2083 H 1 UNL1111111111 0.1197 36 H 1.6833 -3.8460 0.3234 H 1 UNL1111111111 0.1348 37 H 4.0388 -2.8192 0.3511 H 1 UNL1111111111 0.1461 38 H 2.9840 -2.2654 1.6706 H 1 UNL1111111111 0.1616 39 H 2.0409 1.8791 -1.1443 H 1 UNL1111111111 0.3177 40 H -3.2133 -2.4689 -1.2961 H 1 UNL1111111111 0.1466 41 H 6.0602 -1.0020 1.0415 H 1 UNL1111111111 0.1503 42 H -2.1521 0.4378 2.1176 H 1 UNL1111111111 0.1516 43 H 4.4628 3.3440 -0.9170 H 1 UNL1111111111 0.1555 44 H -4.7676 -3.4614 0.3945 H 1 UNL1111111111 0.1449 45 H -3.6683 -2.9805 1.7287 H 1 UNL1111111111 0.1416 46 H 7.5854 0.9593 0.8458 H 1 UNL1111111111 0.1479 47 H 6.8066 3.0823 -0.1087 H 1 UNL1111111111 0.1458 48 H -5.5344 2.6682 -1.8552 H 1 UNL1111111111 0.1396 49 H -6.7617 1.7686 -0.8754 H 1 UNL1111111111 0.1429 50 H -5.9495 0.9729 -2.2846 H 1 UNL1111111111 0.1405 51 H -2.9125 2.4395 3.4477 H 1 UNL1111111111 0.1367 52 H -3.9962 1.0174 3.7300 H 1 UNL1111111111 0.1362 53 H -4.6932 2.6018 3.2447 H 1 UNL1111111111 0.1579 @BOND 1 1 20 1 2 1 26 1 3 2 21 1 4 2 27 1 5 3 20 2 6 4 6 1 7 4 10 1 8 4 12 1 9 5 11 ar 10 5 18 ar 11 5 39 1 12 6 8 1 13 6 11 1 14 6 28 1 15 7 8 1 16 7 9 1 17 7 15 1 18 7 29 1 19 8 30 1 20 8 31 1 21 9 10 1 22 9 17 1 23 9 32 1 24 10 33 1 25 10 34 1 26 11 13 ar 27 12 14 1 28 12 35 1 29 12 36 1 30 13 14 1 31 13 16 ar 32 14 37 1 33 14 38 1 34 15 20 1 35 15 21 2 36 16 18 ar 37 16 19 ar 38 17 23 2 39 17 40 1 40 18 22 ar 41 19 24 ar 42 19 41 1 43 21 42 1 44 22 25 ar 45 22 43 1 46 23 44 1 47 23 45 1 48 24 25 ar 49 24 46 1 50 25 47 1 51 26 48 1 52 26 49 1 53 26 50 1 54 27 51 1 55 27 52 1 56 27 53 1