@MOLECULE (4r,5s,8r,9r,11s,12s,13r,18s)-5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(2-oxo-2h-pyran-5-yl)-15,17,20-trioxahexacyclo[14.3.1.1~14,18~.0~1,13~.0~4,12~.0~5,9~]henicosane-13-carbaldehyde 35 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.3933 -1.1096 -0.7877 O.2 1 UNL1 -0.2480 2 O 3.9973 0.7927 -0.9527 O.2 1 UNL1 -0.2411 3 O 3.6755 -0.4541 3.7463 O.2 1 UNL1 -0.3307 4 O 0.4915 -3.2095 -1.8871 O.2 1 UNL1 -0.3282 5 O -0.4885 0.8188 -2.2355 O.2 1 UNL1 -0.2977 6 O -0.8123 1.8888 0.8863 O.2 1 UNL1 -0.3715 7 O 1.3280 3.3817 0.7413 O.2 1 UNL1 -0.1283 8 O -5.0045 3.9422 -0.6469 O.3 1 UNL1 -0.2206 9 O -9.0862 -2.1176 1.2761 O.3 1 UNL1 -0.2207 10 C 1.8930 1.0672 0.0151 C.2 1 UNL1 -0.3969 11 C 1.0132 0.0661 -0.5498 C.3 1 UNL1 0.1107 12 C 1.2146 -1.2752 -0.7034 C.2 1 UNL1 -0.1613 13 C 4.7413 -1.5983 0.3383 C.3 1 UNL1 0.4125 14 C 0.1938 -2.2340 -1.2514 C.2 1 UNL1 0.4990 15 C -2.7229 0.9965 -0.2044 C.3 1 UNL1 0.1520 16 C 3.3074 0.7927 0.2517 C.3 1 UNL1 0.2582 17 C 2.4258 -1.8982 -0.3727 C.1 1 UNL1 0.0702 18 C 3.5566 -2.2468 -0.0499 C.2 1 UNL1 -0.1341 19 C -0.2656 0.6771 -1.0672 C.2 1 UNL1 0.3112 20 C 4.6947 -0.8488 1.4686 C.3 1 UNL1 -0.3771 21 C 3.9593 -0.3868 2.6022 C.2 1 UNL1 0.5545 22 C -1.1352 -1.8448 -0.9048 C.1 1 UNL1 -0.1468 23 C -3.1947 -0.4070 -0.2110 C.3 1 UNL1 0.1373 24 C 3.9093 0.3931 1.3731 C.3 1 UNL1 -0.3084 25 C -1.2518 1.2311 -0.0190 C.2 1 UNL1 0.3541 26 C -2.1691 -1.2997 -0.5775 C.1 1 UNL1 -0.0260 27 C 5.2816 0.2692 -0.8879 C.2 1 UNL1 -0.1846 28 C 1.5197 2.3021 0.4001 C.1 1 UNL1 0.5638 29 C -3.4989 2.0331 -0.3659 C.1 1 UNL1 -0.4579 30 C -4.4249 -0.7561 0.0930 C.1 1 UNL1 -0.2456 31 C 6.3607 1.0240 -1.1351 C.2 1 UNL1 0.4595 32 C -5.6207 -1.0940 0.3945 C.1 1 UNL1 0.3683 33 C -4.2963 3.0323 -0.5169 C.1 1 UNL1 0.5278 34 C -6.8087 -1.4372 0.6945 C.1 1 UNL1 -0.5378 35 C -8.0083 -1.7973 0.9994 C.1 1 UNL1 0.5842 @BOND 1 5 19 2 2 4 14 2 3 14 22 1 4 14 12 1 5 31 27 2 6 19 11 1 7 19 25 1 8 2 27 1 9 2 16 1 10 22 26 3 11 27 1 1 12 1 13 1 13 12 11 1 14 12 17 2 15 8 33 1 16 26 23 1 17 11 10 1 18 33 29 3 19 17 18 2 20 29 15 1 21 23 15 1 22 23 30 1 23 15 25 1 24 18 13 1 25 25 6 2 26 10 16 1 27 10 28 2 28 30 32 3 29 16 24 1 30 13 20 1 31 32 34 1 32 28 7 2 33 34 35 3 34 35 9 1 35 24 20 1 36 24 21 1 37 20 21 1 38 21 3 2