@MOLECULE 5'-o-[(dodecanoyloxy)(hydroxy)phosphoryl]adenosine 36 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 3.0832 6.1384 0.8202 N.1 1 UNL1 -0.0414 2 C 3.6251 5.1471 0.5759 C.1 1 UNL1 0.0314 3 N 0.2176 3.3494 0.8368 N.1 1 UNL1 -0.1004 4 C 1.2433 2.8699 0.5835 C.1 1 UNL1 0.1821 5 N 2.3542 2.1641 0.2765 N.pl3 1 UNL1 -0.2401 6 C 3.5413 2.5977 0.1544 C.ar 1 UNL1 0.2396 7 C 4.2943 3.9371 0.2722 C.ar 1 UNL1 0.2393 8 N 5.5582 3.7714 0.0539 N.ar 1 UNL1 -0.4606 9 C 5.9006 2.3934 -0.2464 C.ar 1 UNL1 0.6255 10 N 4.6330 1.6969 -0.1851 N.ar 1 UNL1 -0.5212 11 C 4.4679 0.3662 -0.4239 C.3 1 UNL1 0.2069 12 O 3.2746 -0.1462 -0.3263 O.3 1 UNL1 0.1486 13 C 3.3375 -1.5251 -0.6209 C.3 1 UNL1 -0.4651 14 C 4.6228 -1.9896 -0.9571 C.2 1 UNL1 0.4282 15 O 5.1100 -3.0318 -1.2754 O.2 1 UNL1 -0.3265 16 C 5.5308 -0.7019 -0.8341 C.2 1 UNL1 0.2953 17 O 6.6778 -0.4789 -0.9779 O.2 1 UNL1 -0.2254 18 O 1.8165 -3.3603 -0.6277 O.2 1 UNL1 -0.4294 19 O -0.8768 -0.0814 0.4461 O.2 1 UNL1 -0.1093 20 P -0.0499 -1.2109 0.7505 P.3 1 UNL1 0.3892 21 O 1.0789 -1.2395 -0.3304 O.3 1 UNL1 -0.3709 22 O 0.0131 -2.2146 1.7717 O.2 1 UNL1 -0.1894 23 C 2.0807 -2.1980 -0.5088 C.2 1 UNL1 0.6884 24 C -4.1080 -2.4802 0.1381 C.1 2 UNL2 -0.3215 25 C -5.0807 -1.6751 -0.0163 C.1 2 UNL2 0.1777 26 C -2.1512 -4.0783 0.5160 C.1 2 UNL2 -0.5608 27 C -3.1170 -3.2825 0.3211 C.1 2 UNL2 0.4449 28 C -1.1289 -4.8337 0.7591 C.1 2 UNL2 0.6227 29 O -0.2458 -5.5461 0.9784 O.3 2 UNL2 -0.2078 30 C -6.0737 -0.8724 -0.1533 C.1 2 UNL2 -0.0583 31 C -7.0717 -0.0858 -0.2763 C.1 2 UNL2 -0.0985 32 C -8.0842 0.6898 -0.3861 C.1 2 UNL2 0.2304 33 C -9.1064 1.4533 -0.4874 C.1 2 UNL2 -0.3907 34 C -10.1341 2.2067 -0.5787 C.1 2 UNL2 0.4753 35 C -11.1708 2.9578 -0.6652 C.1 2 UNL2 -0.7342 36 C -12.2114 3.7062 -0.7480 C.1 2 UNL2 0.4258 @BOND 1 15 14 2 2 17 16 2 3 14 16 1 4 14 13 1 5 16 11 1 6 36 35 3 7 35 34 1 8 18 23 2 9 13 23 1 10 13 12 1 11 34 33 3 12 23 21 1 13 33 32 1 14 11 12 1 15 11 10 1 16 32 31 3 17 21 20 1 18 31 30 1 19 9 10 ar 20 9 8 ar 21 10 6 ar 22 30 25 3 23 25 24 1 24 8 7 ar 25 24 27 3 26 6 7 ar 27 6 5 1 28 7 2 1 29 5 4 1 30 27 26 1 31 19 20 2 32 26 28 3 33 2 1 3 34 4 3 3 35 20 22 2 36 28 29 1