@MOLECULE (1s,2r,5s,8s,9s,12s,13r,14s,15r,17s,19s,22s,23s,26s,27r)-12-hydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0~1,17~.0~2,14~.0~4,13~.0~5,9~.0~19,27~.0~22,26~]heptacos-3-ene-7,24-dione 76 83 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2856 -1.5993 -2.0342 O.3 1 UNL11 -0.4468 2 O 2.4949 1.9955 0.2378 O.3 1 UNL11 -0.4101 3 O -2.4718 0.4157 2.8699 O.3 1 UNL11 -0.5495 4 O -3.1185 1.6182 -1.1816 O.3 1 UNL11 -0.4092 5 O 3.6543 3.6334 1.1942 O.2 1 UNL11 -0.4458 6 O -4.5427 1.9506 -2.8551 O.2 1 UNL11 -0.4557 7 C 1.6442 -0.2210 -0.2407 C.3 1 UNL11 -0.0552 8 C 2.0147 -1.6672 0.2951 C.3 1 UNL11 -0.1972 9 C 0.5177 -2.1433 0.3259 C.3 1 UNL11 -0.1151 10 C 1.1346 -0.8430 -1.6108 C.3 1 UNL11 0.2921 11 C 0.5562 0.2508 0.7343 C.3 1 UNL11 -0.1312 12 C -0.1087 -1.0760 1.2551 C.3 1 UNL11 -0.1382 13 C 2.8078 -2.2820 -0.8830 C.3 1 UNL11 0.2837 14 C 0.0729 -1.8750 -1.1392 C.3 1 UNL11 -0.3460 15 C 2.7701 0.7603 -0.4520 C.3 1 UNL11 0.0865 16 C -1.6380 -0.8988 1.1023 C.3 1 UNL11 -0.1381 17 C -0.5909 1.0507 0.1812 C.2 1 UNL11 0.0770 18 C 4.1390 0.2907 0.0907 C.3 1 UNL11 -0.1614 19 C 4.3331 -2.0545 -0.8162 C.3 1 UNL11 -0.3188 20 C -1.7678 0.4342 0.3924 C.2 1 UNL11 -0.1321 21 C 0.7301 0.0382 -2.7561 C.3 1 UNL11 -0.4812 22 C 4.8164 -0.6050 -0.9359 C.3 1 UNL11 -0.2645 23 C -2.4612 -0.9227 2.4190 C.3 1 UNL11 0.3254 24 C 2.5795 -3.7865 -1.0671 C.3 1 UNL11 -0.4971 25 C 4.8447 1.6272 0.3975 C.3 1 UNL11 -0.2060 26 C -3.1133 0.9732 0.1134 C.3 1 UNL11 0.1246 27 C -0.3408 2.3806 -0.4049 C.3 1 UNL11 -0.4529 28 C -3.9207 -1.3982 2.1786 C.3 1 UNL11 -0.3472 29 C 3.6715 2.5555 0.6756 C.2 1 UNL11 0.5801 30 C -4.2282 -0.0997 0.0324 C.3 1 UNL11 -0.1611 31 C -4.7958 -0.3980 1.4143 C.3 1 UNL11 -0.2616 32 C -1.8453 -1.8161 3.5071 C.3 1 UNL11 -0.5205 33 C 5.7731 1.5595 1.5981 C.3 1 UNL11 -0.4345 34 C -5.2232 0.5292 -0.9631 C.3 1 UNL11 -0.2116 35 C -4.3250 1.4296 -1.7991 C.2 1 UNL11 0.5828 36 C -5.9303 -0.4922 -1.8373 C.3 1 UNL11 -0.4337 37 H 2.5183 -1.7237 1.2580 H 1 UNL11 0.1449 38 H 0.3617 -3.1703 0.6616 H 1 UNL11 0.1330 39 H 1.0222 0.8178 1.5737 H 1 UNL11 0.1696 40 H 0.1851 -1.2641 2.3015 H 1 UNL11 0.1421 41 H -0.9442 -1.4697 -1.2229 H 1 UNL11 0.1623 42 H 0.0999 -2.7781 -1.7636 H 1 UNL11 0.1516 43 H 2.8446 1.0573 -1.5271 H 1 UNL11 0.1513 44 H -2.0347 -1.7215 0.4590 H 1 UNL11 0.1481 45 H 4.0097 -0.2681 1.0475 H 1 UNL11 0.1583 46 H 4.8060 -2.6380 -1.6341 H 1 UNL11 0.1512 47 H 4.7082 -2.4963 0.1271 H 1 UNL11 0.1412 48 H -0.1509 0.6477 -2.4970 H 1 UNL11 0.1833 49 H 1.5333 0.7186 -3.0654 H 1 UNL11 0.1589 50 H 0.4701 -0.5630 -3.6391 H 1 UNL11 0.1650 51 H 5.9159 -0.5761 -0.8046 H 1 UNL11 0.1408 52 H 4.6266 -0.2401 -1.9666 H 1 UNL11 0.1559 53 H 3.0456 -4.1343 -1.9978 H 1 UNL11 0.1591 54 H 2.9981 -4.3584 -0.2347 H 1 UNL11 0.1473 55 H 1.5180 -4.0405 -1.1483 H 1 UNL11 0.1588 56 H 5.4004 1.9999 -0.4951 H 1 UNL11 0.1703 57 H -3.3653 1.7849 0.8407 H 1 UNL11 0.1568 58 H 0.4873 2.3653 -1.1305 H 1 UNL11 0.1671 59 H -1.2196 2.8024 -0.9151 H 1 UNL11 0.1741 60 H -0.0387 3.0981 0.3786 H 1 UNL11 0.1744 61 H -4.4003 -1.6067 3.1541 H 1 UNL11 0.1389 62 H -3.9010 -2.3688 1.6497 H 1 UNL11 0.1459 63 H -3.8216 -1.0375 -0.4151 H 1 UNL11 0.1569 64 H -4.8968 0.5357 2.0035 H 1 UNL11 0.1505 65 H -5.8209 -0.8082 1.3211 H 1 UNL11 0.1387 66 H -0.9311 -1.3608 3.9123 H 1 UNL11 0.1670 67 H -1.5876 -2.8049 3.1155 H 1 UNL11 0.1574 68 H -2.5232 -1.9613 4.3532 H 1 UNL11 0.1461 69 H 5.2559 1.2164 2.5033 H 1 UNL11 0.1533 70 H 6.1940 2.5492 1.8296 H 1 UNL11 0.1621 71 H 6.6104 0.8754 1.4169 H 1 UNL11 0.1491 72 H -2.9053 0.4914 3.7398 H 1 UNL11 0.3077 73 H -5.9731 1.1611 -0.4314 H 1 UNL11 0.1683 74 H -5.2228 -1.1141 -2.4007 H 1 UNL11 0.1542 75 H -6.5770 0.0011 -2.5780 H 1 UNL11 0.1623 76 H -6.5595 -1.1623 -1.2407 H 1 UNL11 0.1464 @BOND 1 1 10 1 2 1 13 1 3 2 15 1 4 2 29 1 5 3 23 1 6 3 72 1 7 4 26 1 8 4 35 1 9 5 29 2 10 6 35 2 11 7 8 1 12 8 9 1 13 8 37 1 14 9 12 1 15 9 14 1 16 9 38 1 17 10 7 1 18 10 14 1 19 10 21 1 20 11 7 1 21 11 17 1 22 11 39 1 23 12 11 1 24 12 40 1 25 13 8 1 26 13 19 1 27 13 24 1 28 14 41 1 29 14 42 1 30 15 7 1 31 15 43 1 32 16 12 1 33 16 20 1 34 16 44 1 35 17 20 2 36 17 27 1 37 18 15 1 38 18 22 1 39 18 45 1 40 19 22 1 41 19 46 1 42 19 47 1 43 20 26 1 44 21 48 1 45 21 49 1 46 21 50 1 47 22 51 1 48 22 52 1 49 23 16 1 50 23 28 1 51 23 32 1 52 24 53 1 53 24 54 1 54 24 55 1 55 25 18 1 56 25 29 1 57 25 33 1 58 25 56 1 59 26 30 1 60 26 57 1 61 27 58 1 62 27 59 1 63 27 60 1 64 28 31 1 65 28 61 1 66 28 62 1 67 30 31 1 68 30 34 1 69 30 63 1 70 31 64 1 71 31 65 1 72 32 66 1 73 32 67 1 74 32 68 1 75 33 69 1 76 33 70 1 77 33 71 1 78 34 35 1 79 34 36 1 80 34 73 1 81 36 74 1 82 36 75 1 83 36 76 1