@MOLECULE [adenosinato 5'-(trihydrogen diphosphate)](dihydroxy)oxovanadium 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 V -3.9230 0.1749 -1.0250 V 1 UNL1 1.5136 2 O -1.8841 0.0641 -2.2537 O.3 1 UNL1 0.0794 3 O -4.3252 -1.3312 -0.9033 O.2 1 UNL1 -0.4492 4 O -3.1592 0.8546 -2.4771 O.3 1 UNL1 -0.4526 5 P -3.5935 0.6440 1.4818 P.3 1 UNL1 0.4673 6 O -3.7613 1.2256 2.9265 O.3 1 UNL1 0.0137 7 O -4.1485 -0.2966 2.6431 O.3 1 UNL1 -0.0853 8 O -4.8177 1.0044 0.5195 O.3 1 UNL1 -0.5495 9 P -1.3758 -0.2085 -0.6625 P.3 1 UNL1 0.3852 10 O -0.1510 -2.8911 1.1303 O.2 1 UNL1 -0.1455 11 O -0.8324 -1.5674 -0.9164 O.2 1 UNL1 -0.4085 12 O -2.4011 0.3407 0.4633 O.3 1 UNL1 -0.0760 13 O -0.0334 0.6430 -0.1981 O.3 1 UNL1 -0.3811 14 C 1.2014 0.2001 0.0418 C.3 1 UNL1 0.5819 15 C 1.4862 -1.0665 0.6457 C.2 1 UNL1 -0.3035 16 O 2.7328 -1.3851 1.1775 O.2 1 UNL1 -0.1341 17 C 0.5773 -2.0544 0.8325 C.1 1 UNL1 0.5955 18 O 2.4979 -4.6348 -0.1862 O.2 1 UNL1 -0.0321 19 C 4.5318 -2.3926 -0.1313 C.2 1 UNL1 0.4276 20 O 3.5962 -4.4680 -0.4207 O.2 1 UNL1 0.0584 21 C 3.7564 -1.3486 0.2555 C.2 1 UNL1 -0.1927 22 N 4.2497 -0.0623 -0.0568 N.ar 1 UNL1 -0.3865 23 C 5.6275 0.2829 0.0182 C.ar 1 UNL1 0.2054 24 N 5.6905 1.6280 0.1972 N.ar 1 UNL1 -0.5280 25 C 4.4245 2.1509 0.2649 C.ar 1 UNL1 0.1224 26 C 4.1702 3.5132 0.5310 C.1 1 UNL1 0.1443 27 N 3.9872 4.6059 0.8605 N.1 1 UNL1 -0.2411 28 N 1.6656 3.0336 -1.8766 N.1 1 UNL1 -0.1671 29 C 1.7958 2.1884 -1.0948 C.1 1 UNL1 0.2220 30 C 3.4724 1.1144 0.1109 C.ar 1 UNL1 -0.1052 31 N 2.1041 1.1886 -0.1915 N.pl3 1 UNL1 -0.1787 @BOND 1 4 2 1 2 4 1 1 3 2 9 1 4 28 29 3 5 29 31 1 6 1 3 2 7 1 8 1 8 11 9 2 9 9 13 1 10 9 12 1 11 20 18 2 12 13 14 1 13 31 14 1 14 31 30 1 15 19 21 2 16 22 23 ar 17 22 30 ar 18 22 21 1 19 23 24 ar 20 14 15 1 21 30 25 ar 22 24 25 ar 23 21 16 1 24 25 26 1 25 12 5 1 26 8 5 1 27 26 27 3 28 15 17 2 29 15 16 1 30 17 10 2 31 5 7 1 32 5 6 1 33 7 6 1