@MOLECULE 2-(ethylsulfanyl)adenosine 5'-(dihydrogen phosphate) 26 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.8916 -0.3271 1.9727 C.1 1 UNL1 0.4247 2 C -4.5869 -0.2750 0.7360 C.1 1 UNL1 -1.0685 3 S -4.3313 -0.2308 -0.7631 S.3 1 UNL1 0.9853 4 C -2.4919 -0.1460 -1.1573 C.3 1 UNL1 0.0906 5 N -3.0226 1.0059 -1.2448 N.3 1 UNL1 -0.4216 6 C -1.0315 -2.2503 1.6827 C.1 1 UNL1 0.0843 7 N -1.4460 -3.1355 2.2981 N.1 1 UNL1 -0.1364 8 C -0.5270 -1.1546 0.9029 C.2 1 UNL1 0.2367 9 C -0.5589 -1.3798 -0.5980 C.2 1 UNL1 0.2541 10 N -1.4024 -0.8818 -1.4318 N.2 1 UNL1 -0.3273 11 N 0.3680 -2.3550 -1.0357 N.pl3 1 UNL1 -0.1551 12 C 0.3701 1.0921 0.9377 C.3 1 UNL1 0.6638 13 N -0.0966 -0.1097 1.4915 N.2 1 UNL1 -0.3484 14 C 1.4419 -2.1410 -1.6022 C.1 1 UNL1 -0.0938 15 O -1.7122 4.0294 -0.1081 O.3 1 UNL1 -0.2722 16 C -1.0829 3.1042 0.1962 C.1 1 UNL1 0.6456 17 C 1.5068 2.1235 -2.0547 C.2 1 UNL1 0.5033 18 C 2.4672 -1.4620 -2.1168 C.1 1 UNL1 0.5042 19 O 3.4885 -1.2324 -2.6058 O.3 1 UNL1 -0.1828 20 O 1.6478 0.9989 -2.2078 O.2 1 UNL1 -0.5017 21 C -0.3763 2.0938 0.5401 C.1 1 UNL1 -0.7478 22 O 1.7108 1.3048 0.9608 O.3 1 UNL1 -0.2735 23 P 2.8361 0.1785 1.0512 P.3 1 UNL1 0.4531 24 O 2.5457 -1.0476 0.3639 O.2 1 UNL1 -0.3024 25 O 3.5922 0.3722 2.4020 O.3 1 UNL1 -0.0064 26 O 4.1458 1.0281 1.0423 O.3 1 UNL1 -0.0079 @BOND 1 19 18 1 2 20 17 2 3 18 14 3 4 14 11 1 5 10 4 1 6 10 9 2 7 5 4 1 8 5 3 1 9 11 9 1 10 3 2 1 11 9 8 1 12 15 16 1 13 16 21 3 14 24 23 2 15 21 12 1 16 2 1 3 17 8 13 2 18 8 6 1 19 12 22 1 20 12 13 1 21 22 23 1 22 26 23 1 23 26 25 1 24 23 25 1 25 6 7 3