@MOLECULE 1-[(1r,9s)-3,5,13-trihydroxy-8,10-dioxatetracyclo[7.7.1.0~2,7~.0~11,16~]heptadeca-2,4,6,11,13,15-hexaen-4-yl]-1-decanone 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1721 -1.5614 -1.4532 O.3 1 UNL1111 -0.3506 2 O -5.2546 0.4365 -1.1261 O.3 1 UNL1111 -0.3530 3 O -0.9680 -0.7382 2.0352 O.3 1 UNL1111 -0.4736 4 O 0.1961 -2.9469 -1.9945 O.3 1 UNL1111 -0.4630 5 O 1.8979 -2.5264 -0.1718 O.2 1 UNL1111 -0.5521 6 O -3.9859 4.8745 -0.6973 O.3 1 UNL1111 -0.4581 7 C -3.7356 -0.4347 1.1443 C.3 1 UNL1111 -0.0231 8 C -5.0751 -1.0985 0.7639 C.3 1 UNL1111 -0.3779 9 C -5.2164 -0.9207 -0.7377 C.3 1 UNL1111 0.3205 10 C -2.6424 -1.1017 0.3696 C.ar 1 UNL1111 -0.4003 11 C -3.7954 1.0080 0.7344 C.ar 1 UNL1111 -0.2211 12 C -2.9343 -1.6062 -0.9123 C.ar 1 UNL1111 0.4086 13 C -4.5282 1.3415 -0.4163 C.ar 1 UNL1111 0.3078 14 C -1.3280 -1.2059 0.8194 C.ar 1 UNL1111 0.4413 15 C -0.3005 -1.8044 0.0667 C.ar 1 UNL1111 -0.4887 16 C -3.1167 2.0143 1.4131 C.ar 1 UNL1111 -0.0344 17 C -1.9763 -2.2247 -1.7053 C.ar 1 UNL1111 -0.4421 18 C -0.6718 -2.3280 -1.2026 C.ar 1 UNL1111 0.4776 19 C -4.5968 2.6442 -0.9047 C.ar 1 UNL1111 -0.3342 20 C 3.0616 -1.2767 1.9406 C.3 1 UNL1111 -0.2536 21 C 3.7451 -0.2602 1.0166 C.3 1 UNL1111 -0.2688 22 C 1.5391 -1.2356 1.7740 C.3 1 UNL1111 -0.3604 23 C 5.2709 -0.3863 1.1056 C.3 1 UNL1111 -0.2722 24 C 1.0887 -1.9014 0.5053 C.2 1 UNL1111 0.5632 25 C 5.9507 0.6378 0.1883 C.3 1 UNL1111 -0.2718 26 C -3.1593 3.3307 0.9613 C.ar 1 UNL1111 -0.3603 27 C -3.8965 3.6200 -0.1928 C.ar 1 UNL1111 0.3440 28 C 7.4746 0.4645 0.2173 C.3 1 UNL1111 -0.2741 29 C 8.1503 1.4452 -0.7495 C.3 1 UNL1111 -0.2722 30 C 9.6766 1.2932 -0.7024 C.3 1 UNL1111 -0.2514 31 C 10.3492 2.2331 -1.7038 C.3 1 UNL1111 -0.4400 32 H -3.5814 -0.5358 2.2459 H 1 UNL1111 0.1383 33 H -5.0811 -2.1687 1.0430 H 1 UNL1111 0.1751 34 H -5.9185 -0.6287 1.3028 H 1 UNL1111 0.1727 35 H -6.1263 -1.3376 -1.2277 H 1 UNL1111 0.1682 36 H -2.5420 1.7786 2.3084 H 1 UNL1111 0.1421 37 H -2.2192 -2.6173 -2.6892 H 1 UNL1111 0.2083 38 H -5.1613 2.8913 -1.7997 H 1 UNL1111 0.2009 39 H 3.4366 -2.2971 1.7181 H 1 UNL1111 0.1581 40 H 3.3305 -1.0739 2.9931 H 1 UNL1111 0.1302 41 H 3.4177 -0.4300 -0.0288 H 1 UNL1111 0.1515 42 H 3.4302 0.7659 1.2765 H 1 UNL1111 0.1294 43 H 1.0455 -1.7313 2.6387 H 1 UNL1111 0.1753 44 H 1.1831 -0.1821 1.7996 H 1 UNL1111 0.1802 45 H 5.5780 -1.4106 0.8195 H 1 UNL1111 0.1415 46 H 5.6077 -0.2471 2.1481 H 1 UNL1111 0.1314 47 H 5.6790 1.6637 0.4962 H 1 UNL1111 0.1335 48 H 5.5774 0.5219 -0.8468 H 1 UNL1111 0.1403 49 H -2.6292 4.1123 1.4916 H 1 UNL1111 0.1664 50 H 7.8541 0.6194 1.2436 H 1 UNL1111 0.1339 51 H 7.7414 -0.5746 -0.0530 H 1 UNL1111 0.1381 52 H 7.8669 2.4839 -0.4985 H 1 UNL1111 0.1349 53 H 7.7855 1.2725 -1.7794 H 1 UNL1111 0.1381 54 H -1.7144 -0.2876 2.5107 H 1 UNL1111 0.3357 55 H 9.9596 0.2459 -0.9198 H 1 UNL1111 0.1342 56 H 10.0461 1.5014 0.3191 H 1 UNL1111 0.1323 57 H 1.1328 -2.9959 -1.5520 H 1 UNL1111 0.3915 58 H -3.4642 5.5284 -0.1696 H 1 UNL1111 0.3283 59 H 10.1002 3.2806 -1.5006 H 1 UNL1111 0.1416 60 H 11.4399 2.1398 -1.6650 H 1 UNL1111 0.1392 61 H 10.0363 2.0127 -2.7307 H 1 UNL1111 0.1428 @BOND 1 1 9 1 2 1 12 1 3 2 9 1 4 2 13 1 5 3 14 1 6 3 54 1 7 4 18 1 8 4 57 1 9 5 24 2 10 6 27 1 11 6 58 1 12 7 8 1 13 7 10 1 14 7 11 1 15 7 32 1 16 8 9 1 17 8 33 1 18 8 34 1 19 9 35 1 20 10 12 ar 21 10 14 ar 22 11 13 ar 23 11 16 ar 24 12 17 ar 25 13 19 ar 26 14 15 ar 27 15 18 ar 28 15 24 1 29 16 26 ar 30 16 36 1 31 17 18 ar 32 17 37 1 33 19 27 ar 34 19 38 1 35 20 21 1 36 20 22 1 37 20 39 1 38 20 40 1 39 21 23 1 40 21 41 1 41 21 42 1 42 22 24 1 43 22 43 1 44 22 44 1 45 23 25 1 46 23 45 1 47 23 46 1 48 25 28 1 49 25 47 1 50 25 48 1 51 26 27 ar 52 26 49 1 53 28 29 1 54 28 50 1 55 28 51 1 56 29 30 1 57 29 52 1 58 29 53 1 59 30 31 1 60 30 55 1 61 30 56 1 62 31 59 1 63 31 60 1 64 31 61 1