@MOLECULE 2-[acetyl(bromo)amino]ethyl dihydrogen phosphate 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5791 -0.4775 1.0712 C.3 1 UNL111111 -0.5228 2 C 2.5492 -1.2002 0.2671 C.2 1 UNL111111 0.5810 3 C 0.7122 -1.1321 -1.3714 C.3 1 UNL111111 -0.1309 4 C -0.4637 -1.5262 -0.4505 C.3 1 UNL111111 -0.0128 5 O 2.3831 -2.3987 0.3214 O.2 1 UNL111111 -0.4835 6 N 1.8411 -0.4729 -0.7277 N.am 1 UNL111111 -0.4355 7 O -1.3370 -0.3975 -0.6260 O.3 1 UNL111111 -0.3701 8 P -2.6199 -0.1274 0.3033 P.3 1 UNL111111 0.3414 9 O -2.5897 -0.5377 1.6917 O.2 1 UNL111111 -0.2237 10 O -2.7891 1.4270 -0.0386 O.3 1 UNL111111 -0.3437 11 O -3.8439 -0.7590 -0.4866 O.3 1 UNL111111 -0.2893 12 BR 1.2933 1.3938 -0.0665 Br 1 UNL111111 0.0576 13 H 4.3424 -1.1861 1.4366 H 1 UNL111111 0.1883 14 H 4.1053 0.2987 0.4946 H 1 UNL111111 0.1873 15 H 3.1397 0.0018 1.9598 H 1 UNL111111 0.1873 16 H 0.3397 -0.4740 -2.1973 H 1 UNL111111 0.1781 17 H 1.1219 -2.0540 -1.8622 H 1 UNL111111 0.1780 18 H -0.9558 -2.4502 -0.8176 H 1 UNL111111 0.1362 19 H -0.1324 -1.6873 0.5948 H 1 UNL111111 0.1481 20 H -1.8608 1.8632 -0.0389 H 1 UNL111111 0.3202 21 H -3.8984 -0.3324 -1.4207 H 1 UNL111111 0.3088 @BOND 1 16 3 1 2 17 3 1 3 21 11 1 4 3 6 1 5 3 4 1 6 18 4 1 7 6 12 1 8 6 2 am 9 7 4 1 10 7 8 1 11 11 8 1 12 4 19 1 13 20 10 1 14 10 8 1 15 2 5 2 16 2 1 1 17 8 9 2 18 14 1 1 19 1 13 1 20 1 15 1