@MOLECULE 2,3,4-trihydroxy-4-(hydroxyamino)butyl dihydrogen phosphate 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.7481 1.3936 -0.6879 O.2 1 UNL1111111 -0.2330 2 P -3.2833 0.1296 -0.1570 P.3 1 UNL1111111 0.3630 3 O -3.8442 -1.2406 -0.7642 O.3 1 UNL1111111 -0.3491 4 O -3.6171 -0.0540 1.3833 O.3 1 UNL1111111 -0.2876 5 O -1.7278 -0.2235 -0.3225 O.3 1 UNL1111111 -0.3836 6 C -0.6801 0.6699 0.1023 C.3 1 UNL1111111 -0.0316 7 C 0.5581 -0.1154 -0.3789 C.3 1 UNL1111111 0.0822 8 O 0.6458 -1.3346 0.3397 O.3 1 UNL1111111 -0.6069 9 C 1.8521 0.6629 -0.0550 C.3 1 UNL1111111 0.0514 10 O 1.8501 1.0428 1.2946 O.3 1 UNL1111111 -0.5300 11 C 3.1207 -0.1889 -0.3637 C.3 1 UNL1111111 0.2200 12 O 3.2903 -1.1528 0.6579 O.3 1 UNL1111111 -0.5972 13 N 4.2805 0.7097 -0.2863 N.4 1 UNL1111111 -0.3392 14 O 5.3975 -0.0047 -0.7870 O.3 1 UNL1111111 -0.3468 15 H -3.5948 -1.2906 -1.7563 H 1 UNL1111111 0.3223 16 H -3.5062 -1.0453 1.6369 H 1 UNL1111111 0.3110 17 H -0.6661 0.7876 1.2063 H 1 UNL1111111 0.1551 18 H -0.7383 1.6667 -0.3739 H 1 UNL1111111 0.1408 19 H 0.4811 -0.3710 -1.4598 H 1 UNL1111111 0.1361 20 H -0.2289 -1.7733 0.3667 H 1 UNL1111111 0.3559 21 H 1.8818 1.6360 -0.6004 H 1 UNL1111111 0.1671 22 H 2.0212 0.2527 1.8642 H 1 UNL1111111 0.3378 23 H 3.0745 -0.7061 -1.3484 H 1 UNL1111111 0.1428 24 H 2.4832 -1.7073 0.7450 H 1 UNL1111111 0.3509 25 H 4.5484 0.8789 0.6893 H 1 UNL1111111 0.2771 26 H 5.6879 0.5532 -1.5614 H 1 UNL1111111 0.2915 @BOND 1 15 3 1 2 26 14 1 3 19 7 1 4 23 11 1 5 14 13 1 6 3 2 1 7 1 2 2 8 21 9 1 9 7 9 1 10 7 6 1 11 7 8 1 12 18 6 1 13 11 13 1 14 11 9 1 15 11 12 1 16 5 2 1 17 5 6 1 18 13 25 1 19 2 4 1 20 9 10 1 21 6 17 1 22 8 20 1 23 12 24 1 24 10 22 1 25 4 16 1