@MOLECULE 1-phosphohistidine 15 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 3.0834 -2.3753 -1.8324 N.1 1 UNL1 -0.2291 2 C 2.1563 -1.7545 -1.5128 C.1 1 UNL1 0.1822 3 C 1.0728 -1.0170 -1.1344 C.1 1 UNL1 -0.2231 4 C 0.1099 -0.3483 -0.7993 C.1 1 UNL1 0.2024 5 C 1.0720 2.9650 -1.7006 C.1 1 UNL1 0.4142 6 N 0.1465 2.3645 -1.2284 N.1 1 UNL1 -0.7254 7 C -0.9775 1.8251 -0.6344 C.3 1 UNL1 0.5677 8 N -0.9483 0.4309 -0.4391 N.pl3 1 UNL1 -0.3616 9 P -2.2914 -0.2959 0.3311 P.3 1 UNL1 0.4409 10 O -3.3909 0.5986 0.5176 O.2 1 UNL1 -0.1724 11 O -1.7470 -1.3794 1.3256 O.3 1 UNL1 -0.0520 12 O -2.3305 -1.8037 -0.0962 O.3 1 UNL1 -0.0437 13 C 2.6649 0.5562 1.8235 C.1 1 UNL1 0.6554 14 O 3.4225 -0.0213 2.4965 O.2 1 UNL1 -0.3000 15 O 1.9063 1.1394 1.1509 O.2 1 UNL1 -0.3556 @BOND 1 1 2 3 2 5 6 3 3 2 3 1 4 6 7 1 5 3 4 3 6 4 8 1 7 7 8 1 8 8 9 1 9 12 9 1 10 12 11 1 11 9 10 2 12 9 11 1 13 15 13 2 14 13 14 2