@MOLECULE o-phosphono-l-tyrosine 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 P -3.7759 0.0620 0.0650 P.3 1 UNL11111111 0.3689 2 O -2.4265 0.0504 -0.8164 O.3 1 UNL11111111 -0.2786 3 O 3.3358 1.6248 -1.0383 O.3 1 UNL11111111 -0.5437 4 OXT 4.8100 1.4426 0.6250 O.2 1 UNL11111111 -0.5105 5 O -3.5099 1.3356 0.9946 O.3 1 UNL11111111 -0.4106 6 O -4.7479 0.6059 -1.0622 O.3 1 UNL11111111 -0.2527 7 O -4.2266 -1.1620 0.6927 O.2 1 UNL11111111 -0.2411 8 N 5.1258 -1.2395 -0.3084 N.3 1 UNL11111111 -0.6410 9 C 2.8582 -1.0239 0.8135 C.3 1 UNL11111111 -0.3353 10 CA 3.8116 -0.5810 -0.3234 C.3 1 UNL11111111 0.0020 11 C 1.4348 -0.7444 0.4438 C.ar 1 UNL11111111 -0.0483 12 C 0.8711 0.5081 0.7064 C.ar 1 UNL11111111 -0.1238 13 C 0.6729 -1.7358 -0.1758 C.ar 1 UNL11111111 -0.1342 14 C -1.1971 -0.2320 -0.2586 C.ar 1 UNL11111111 0.2646 15 C -0.4478 0.7758 0.3609 C.ar 1 UNL11111111 -0.2169 16 C -0.6522 -1.4947 -0.5255 C.ar 1 UNL11111111 -0.2151 17 C 4.0799 0.9064 -0.1660 C.2 1 UNL11111111 0.6283 18 H 3.1281 -0.5254 1.7688 H 1 UNL11111111 0.1663 19 H 2.9984 -2.1053 1.0160 H 1 UNL11111111 0.1580 20 HA 3.3335 -0.7852 -1.3228 H 1 UNL11111111 0.1881 21 H 1.4700 1.2843 1.1818 H 1 UNL11111111 0.1522 22 H 1.1120 -2.7109 -0.3879 H 1 UNL11111111 0.1486 23 H -0.8869 1.7538 0.5630 H 1 UNL11111111 0.1751 24 H -1.2566 -2.2655 -1.0007 H 1 UNL11111111 0.1734 25 H1 5.0505 -2.2414 -0.3630 H 1 UNL11111111 0.2608 26 H2 5.6837 -0.9796 0.4925 H 1 UNL11111111 0.2692 27 H 3.4744 2.6014 -0.9590 H 1 UNL11111111 0.3527 28 H -3.8163 1.1323 1.9465 H 1 UNL11111111 0.3299 29 H -4.3252 1.4519 -1.4811 H 1 UNL11111111 0.3137 @BOND 1 29 6 1 2 20 10 1 3 6 1 1 4 3 27 1 5 3 17 1 6 24 16 1 7 2 14 1 8 2 1 1 9 16 14 ar 10 16 13 ar 11 22 13 1 12 25 8 1 13 10 8 1 14 10 17 1 15 10 9 1 16 8 26 1 17 14 15 ar 18 13 11 ar 19 17 4 2 20 1 7 2 21 1 5 1 22 15 23 1 23 15 12 ar 24 11 12 ar 25 11 9 1 26 12 21 1 27 9 19 1 28 9 18 1 29 5 28 1