@MOLECULE {2-[(4-aminobutyl)amino]-2-oxoethyl}phosphonic acid 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 P -2.1673 -0.7964 0.1302 P.3 1 UNL11111111 0.2981 2 O -0.6598 -1.2722 -0.1718 O.3 1 UNL11111111 -0.4528 3 O -2.9821 -1.4406 -1.0914 O.3 1 UNL11111111 -0.4121 4 O -0.8715 2.5631 0.7553 O.2 1 UNL11111111 -0.5348 5 O -2.6549 -1.1856 1.4482 O.2 1 UNL11111111 -0.3255 6 N 0.3024 1.4241 -0.8191 N.am 1 UNL11111111 -0.5760 7 N 4.4350 -2.0388 -0.2366 N.3 1 UNL11111111 -0.6519 8 C 2.3980 1.1011 0.4904 C.3 1 UNL11111111 -0.3091 9 C 1.5676 2.0436 -0.4011 C.3 1 UNL11111111 -0.0730 10 C 2.9938 -0.0514 -0.3199 C.3 1 UNL11111111 -0.2832 11 C 3.7455 -1.0291 0.6003 C.3 1 UNL11111111 -0.1021 12 C -2.1053 0.9155 -0.4653 C.3 1 UNL11111111 -0.2561 13 C -0.8364 1.6765 -0.0719 C.2 1 UNL11111111 0.6226 14 H 1.7608 0.7119 1.3101 H 1 UNL11111111 0.1595 15 H 3.2027 1.6777 0.9844 H 1 UNL11111111 0.1448 16 H 1.3528 2.9934 0.1464 H 1 UNL11111111 0.1673 17 H 2.1353 2.3219 -1.3166 H 1 UNL11111111 0.1375 18 H 2.2011 -0.5913 -0.8709 H 1 UNL11111111 0.1375 19 H 3.6908 0.3339 -1.0912 H 1 UNL11111111 0.1547 20 H 4.5237 -0.4862 1.1814 H 1 UNL11111111 0.1420 21 H 3.0448 -1.4807 1.3343 H 1 UNL11111111 0.1098 22 H 0.3957 0.5501 -1.3220 H 1 UNL11111111 0.3160 23 H -2.9970 1.4716 -0.0236 H 1 UNL11111111 0.2240 24 H -2.2402 0.9327 -1.5910 H 1 UNL11111111 0.2134 25 H 3.7953 -2.5174 -0.8475 H 1 UNL11111111 0.2452 26 H 4.9238 -2.7174 0.3222 H 1 UNL11111111 0.2480 27 H -0.4385 -2.1009 0.3706 H 1 UNL11111111 0.3310 28 H -3.3059 -2.3721 -0.8444 H 1 UNL11111111 0.3251 @BOND 1 28 3 1 2 3 1 1 3 24 12 1 4 1 2 1 5 1 12 1 6 1 5 2 7 2 27 1 8 25 7 1 9 22 6 1 10 12 23 1 11 12 13 1 12 18 10 1 13 6 13 am 14 6 9 1 15 7 26 1 16 7 11 1 17 19 10 1 18 13 4 2 19 10 11 1 20 10 8 1 21 17 9 1 22 9 8 1 23 9 16 1 24 11 21 1 25 11 20 1 26 8 14 1 27 8 15 1