@MOLECULE triphosphate pentaanion 13 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.0250 -1.4977 -0.0324 P.3 1 UNL1 0.4319 2 P 2.0835 0.6847 -0.0507 P.3 1 UNL1 0.4146 3 P -2.1563 0.7545 0.0725 P.3 1 UNL1 0.3903 4 O 1.1672 -0.5449 -0.3065 O.3 1 UNL1 -0.2730 5 O -1.3159 -0.6033 -0.2535 O.3 1 UNL1 -0.1065 6 O -0.0778 -2.5551 -1.0627 O.2 1 UNL1 -0.0930 7 O 0.0358 -2.3174 1.2053 O.3 1 UNL1 -0.0928 8 O 1.3338 1.8546 0.5413 O.3 1 UNL1 -0.0461 9 O 2.9085 0.7376 -1.3033 O.2 1 UNL1 -0.0722 10 O -1.8479 1.9373 -0.7688 O.2 1 UNL1 -0.1518 11 O -3.5252 0.5216 -0.4447 O.3 1 UNL1 -0.1649 12 O 3.1984 0.5462 0.9327 O.3 1 UNL1 -0.1356 13 O -1.6875 0.5367 1.4808 O.3 1 UNL1 -0.1008 @BOND 1 9 2 2 2 6 1 2 3 10 3 2 4 11 3 1 5 4 2 1 6 4 1 1 7 5 1 1 8 5 3 1 9 2 8 1 10 2 12 1 11 1 7 1 12 3 13 1