@MOLECULE (1e,3r,4r,6r,7z,9z)-3-(2-aminoethyl)-10-cyclohexyl-1-[(2s,3s)-3-ethyl-6-oxo-3,6-dihydro-2h-pyran-2-yl]-3,6-dihydroxy-1,7,9-decatrien-4-yl dihydrogen phosphate 41 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.9884 -2.4118 -1.8518 P.3 1 UNL1 0.3373 2 O -0.3060 -1.4733 -0.4104 O.2 1 UNL1 0.0293 3 O 2.9852 -1.4040 1.3586 O.2 1 UNL1 -0.6657 4 O 4.3991 2.8362 -1.2341 O.2 1 UNL1 -0.3762 5 O -0.8384 3.3840 -0.6436 O.2 1 UNL1 -0.3370 6 O -0.6694 -3.7641 -1.4731 O.2 1 UNL1 -0.2189 7 O -1.7863 -1.5941 -0.7216 O.3 1 UNL1 -0.0827 8 O -0.8708 -1.6923 -3.0915 O.2 1 UNL1 -0.2407 9 O 4.7256 -3.2172 1.0183 O.3 1 UNL1 0.0195 10 N -0.0625 -2.1241 2.5835 N.1 1 UNL1 -0.1761 11 C -5.8620 0.4762 1.0140 C.ar 1 UNL1 -0.2006 12 C -7.0216 0.0975 1.7365 C.ar 1 UNL1 -0.0595 13 C -6.0940 1.5661 -0.0189 C.ar 1 UNL1 0.1036 14 C 1.4131 -0.1082 0.1531 C.3 1 UNL1 -0.4897 15 C -8.1849 0.5660 1.5873 C.ar 1 UNL1 -0.1201 16 C -7.4269 1.9210 -0.0128 C.ar 1 UNL1 -0.2217 17 C -8.4285 1.5409 0.6709 C.ar 1 UNL1 0.0782 18 C 0.0702 -0.1215 -0.3523 C.2 1 UNL1 0.3353 19 C -0.7316 0.8687 -0.7002 C.2 1 UNL1 -0.4168 20 C 1.8295 -1.0642 1.1120 C.2 1 UNL1 0.6202 21 C 2.2997 0.8758 -0.3649 C.2 1 UNL1 0.1996 22 C -4.6187 -0.0512 1.2075 C.3 1 UNL1 0.1314 23 C 4.4539 2.0466 -0.3367 C.2 1 UNL1 0.4860 24 C -1.0828 2.2408 -0.8046 C.2 1 UNL1 0.5051 25 C 5.8722 1.6563 0.2134 C.3 1 UNL1 0.0534 26 C 3.4357 1.2534 0.2861 C.2 1 UNL1 -0.5334 27 C 0.7743 -1.6988 1.9107 C.1 1 UNL1 0.0016 28 C 6.8577 2.4976 0.3549 C.3 1 UNL1 -0.5495 29 C -3.3988 0.2715 0.5202 C.2 1 UNL1 -0.2936 30 C -2.0501 1.2107 -1.3374 C.3 1 UNL1 -0.2532 31 C 5.8371 0.2762 0.5178 C.3 1 UNL1 0.3864 32 C -3.3176 0.9294 -0.6556 C.2 1 UNL1 0.0620 33 C 7.7832 3.4133 0.4312 C.3 1 UNL1 0.4745 34 C 5.5874 -0.9120 0.7111 C.1 1 UNL1 -0.3650 35 C 5.0950 -2.1466 0.8953 C.1 1 UNL1 0.6985 36 H 2.0440 1.3357 -1.3378 H 1 UNL1 0.1624 37 H -4.5086 -0.8172 1.9989 H 1 UNL1 0.1589 38 H 3.5947 0.9366 1.3172 H 1 UNL1 0.1899 39 H -2.4848 -0.0822 1.0122 H 1 UNL1 0.1761 40 H -2.1180 1.0966 -2.4347 H 1 UNL1 0.1972 41 H -4.2166 1.2877 -1.1865 H 1 UNL1 0.1940 @BOND 1 8 1 2 2 40 30 1 3 1 6 2 4 1 7 1 5 36 21 1 6 30 24 1 7 30 19 1 8 30 32 1 9 4 23 2 10 41 32 1 11 24 19 1 12 24 5 2 13 7 2 1 14 19 18 2 15 32 29 2 16 2 18 1 17 21 14 1 18 21 26 2 19 18 14 1 20 23 25 1 21 23 26 1 22 13 16 ar 23 13 11 ar 24 16 17 ar 25 14 20 1 26 25 28 1 27 25 31 1 28 26 38 1 29 28 33 1 30 31 34 1 31 29 39 1 32 29 22 1 33 17 15 ar 34 34 35 3 35 35 9 1 36 11 22 1 37 11 12 ar 38 20 3 2 39 20 27 1 40 22 37 1 41 15 12 ar 42 27 10 3