@MOLECULE methyl (2e)-3-[(1s,2r,5s,7r,9s,11r,12r,13s,14s,15r,16s,17r)-12-formyl-14,15-dihydroxy-7,16-dimethyl-6,8,20,23-tetraoxaheptacyclo[15.3.2.1~5,9~.1~7,11~.0~1,16~.0~2,13~.0~5,12~]tetracos-18-en-18-yl]acrylate 70 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.3980 0.3317 -0.1018 C.3 1 UNL1 -0.1229 2 C -0.8623 -0.7330 0.2299 C.3 1 UNL1 0.2373 3 C 0.5936 -0.9895 -0.1579 C.3 1 UNL1 -0.1660 4 C 2.8505 0.0461 -0.5014 C.3 1 UNL1 -0.2022 5 C -1.5557 0.3700 -0.6149 C.3 1 UNL1 -0.0318 6 C 3.4544 -0.9972 0.4902 C.3 1 UNL1 0.2978 7 C 0.7404 1.4066 -0.9853 C.3 1 UNL1 0.0786 8 C -0.7363 1.6720 -0.5856 C.3 1 UNL1 0.0850 9 C -2.8975 0.4376 0.1752 C.3 1 UNL1 -0.0661 10 C 3.8002 1.2734 -0.4514 C.3 1 UNL1 0.1590 11 C 4.5056 0.7801 1.8605 C.3 1 UNL1 0.1449 12 C 5.6214 -0.1643 0.0193 C.3 1 UNL1 0.6424 13 C -1.7473 0.0100 -2.0870 C.3 1 UNL1 -0.4674 14 C 6.9785 -0.5866 -0.4894 C.3 1 UNL1 -0.4649 15 C -9.3935 1.0236 0.3107 C.3 1 UNL1 -0.1711 16 H 1.2545 3.2972 -1.3480 H 1 UNL1 0.3257 17 H 0.0239 2.7795 0.8579 H 1 UNL1 0.3293 18 O 2.1089 -0.4290 -2.7360 O.2 1 UNL1 -0.4765 19 O -7.9340 -1.0777 -0.2983 O.2 1 UNL1 -0.5280 20 C 1.2066 -2.0658 0.7527 C.3 1 UNL1 -0.2682 21 C 2.6814 -2.3147 0.4292 C.3 1 UNL1 -0.3139 22 O 1.4514 2.6051 -0.6874 O.3 1 UNL1 -0.5862 23 O -0.7758 2.2222 0.7147 O.3 1 UNL1 -0.5547 24 C -7.3280 -0.0810 0.0159 C.2 1 UNL1 0.6122 25 O -7.9725 1.0748 0.3452 O.3 1 UNL1 -0.4099 26 C 2.9895 -0.5079 -1.9167 C.2 1 UNL1 0.3793 27 C -5.0569 -0.9286 -0.1317 C.2 1 UNL1 0.0111 28 C -5.8819 0.1054 0.1145 C.2 1 UNL1 -0.3371 29 C -1.1578 -0.3717 1.7007 C.3 1 UNL1 -0.3114 30 C 3.5813 -0.4424 1.9205 C.3 1 UNL1 -0.3876 31 C -2.4685 0.4463 1.6655 C.3 1 UNL1 -0.2628 32 C 3.9178 1.8685 0.9542 C.3 1 UNL1 -0.3793 33 C -3.6203 -0.8668 -0.0476 C.2 1 UNL1 -0.2418 34 C -2.8600 -1.9875 -0.1107 C.2 1 UNL1 0.1532 35 O 4.7688 -1.2933 0.0297 O.3 1 UNL1 -0.4947 36 O -1.5161 -2.0011 -0.0320 O.2 1 UNL1 -0.3555 37 O 5.0844 0.8077 -0.8502 O.3 1 UNL1 -0.4829 38 O 5.7499 0.3604 1.3138 O.3 1 UNL1 -0.4498 39 H 1.3830 0.7191 0.9507 H 1 UNL1 0.1635 40 H 0.6012 -1.3741 -1.2134 H 1 UNL1 0.1814 41 H 0.8378 1.1821 -2.0693 H 1 UNL1 0.1624 42 H -1.1950 2.4367 -1.2540 H 1 UNL1 0.1279 43 H -3.4939 1.3223 -0.1024 H 1 UNL1 0.1517 44 H 1.0936 -1.7830 1.8162 H 1 UNL1 0.1433 45 H 0.6340 -3.0096 0.6361 H 1 UNL1 0.1598 46 H 3.5592 2.0354 -1.2233 H 1 UNL1 0.1639 47 H 2.7934 -2.7763 -0.5720 H 1 UNL1 0.1600 48 H 3.1196 -3.0494 1.1319 H 1 UNL1 0.1602 49 H -1.2611 -1.2796 2.3149 H 1 UNL1 0.1476 50 H -0.3397 0.2243 2.1359 H 1 UNL1 0.1541 51 H 2.6022 -0.1915 2.3572 H 1 UNL1 0.1615 52 H 4.0274 -1.2174 2.5746 H 1 UNL1 0.1714 53 H -2.3129 1.4762 2.0286 H 1 UNL1 0.1584 54 H -3.2455 0.0081 2.3101 H 1 UNL1 0.1410 55 H 4.7909 1.1582 2.8633 H 1 UNL1 0.1441 56 H 4.5935 2.7461 0.9300 H 1 UNL1 0.1707 57 H 2.9439 2.2381 1.3178 H 1 UNL1 0.1709 58 H -2.2701 -0.9443 -2.2257 H 1 UNL1 0.1660 59 H -2.3462 0.7684 -2.6057 H 1 UNL1 0.1550 60 H -0.7905 -0.0931 -2.6166 H 1 UNL1 0.1605 61 H 3.9523 -0.9753 -2.1683 H 1 UNL1 0.1412 62 H -3.1936 -3.0124 -0.2484 H 1 UNL1 0.1600 63 H 6.8907 -1.1230 -1.4446 H 1 UNL1 0.1765 64 H 7.6237 0.2906 -0.6444 H 1 UNL1 0.1791 65 H 7.4725 -1.2518 0.2339 H 1 UNL1 0.1777 66 H -5.4827 -1.9061 -0.4096 H 1 UNL1 0.1620 67 H -5.5403 1.0977 0.4008 H 1 UNL1 0.1848 68 H -9.7408 0.7539 -0.6924 H 1 UNL1 0.1394 69 H -9.7617 0.3007 1.0465 H 1 UNL1 0.1381 70 H -9.6850 2.0465 0.5736 H 1 UNL1 0.1427 @BOND 1 18 26 2 2 60 13 1 3 59 13 1 4 58 13 1 5 61 26 1 6 13 5 1 7 41 7 1 8 26 4 1 9 63 14 1 10 16 22 1 11 42 8 1 12 46 10 1 13 40 3 1 14 7 22 1 15 7 8 1 16 7 1 1 17 37 10 1 18 37 12 1 19 68 15 1 20 64 14 1 21 5 8 1 22 5 9 1 23 5 2 1 24 8 23 1 25 47 21 1 26 4 10 1 27 4 1 1 28 4 6 1 29 14 12 1 30 14 65 1 31 10 32 1 32 66 27 1 33 19 24 2 34 62 34 1 35 3 1 1 36 3 2 1 37 3 20 1 38 27 33 1 39 27 28 2 40 34 33 2 41 34 36 1 42 43 9 1 43 1 39 1 44 33 9 1 45 36 2 1 46 24 28 1 47 24 25 1 48 12 35 1 49 12 38 1 50 35 6 1 51 28 67 1 52 9 31 1 53 2 29 1 54 15 25 1 55 15 70 1 56 15 69 1 57 21 6 1 58 21 20 1 59 21 48 1 60 6 30 1 61 45 20 1 62 23 17 1 63 20 44 1 64 56 32 1 65 32 57 1 66 32 11 1 67 38 11 1 68 31 29 1 69 31 53 1 70 31 54 1 71 29 50 1 72 29 49 1 73 11 30 1 74 11 55 1 75 30 51 1 76 30 52 1