@MOLECULE (3s,5r)-5-(hydroxyamino)-3-methyl-l-proline 23 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.3999 1.1725 -0.0429 C.2 1 UNL1 0.5975 2 CA 0.7521 -0.0449 -0.6665 C.3 1 UNL1 -0.0329 3 C 0.7174 -1.2393 0.3287 C.3 1 UNL1 -0.0732 4 C -0.6835 -1.8538 0.1356 C.3 1 UNL1 -0.3181 5 C -1.5511 -0.6953 -0.4062 C.3 1 UNL1 0.1531 6 C 1.8357 -2.2347 0.0559 C.3 1 UNL1 -0.4569 7 N -0.6360 0.2374 -1.1012 N.3 1 UNL1 -0.5377 8 OXT 2.6068 0.8457 0.4913 O.3 1 UNL1 -0.5670 9 N -2.2084 -0.0073 0.7438 N.4 1 UNL1 -0.3669 10 O -2.9810 1.0622 0.2844 O.3 1 UNL1 -0.2887 11 O 0.9946 2.3023 -0.0078 O.2 1 UNL1 -0.4848 12 HA 1.3290 -0.3143 -1.5948 H 1 UNL1 0.1818 13 H 0.8095 -0.8565 1.3742 H 1 UNL1 0.1566 14 H -0.6583 -2.6812 -0.5948 H 1 UNL1 0.1562 15 H -1.0701 -2.2753 1.0756 H 1 UNL1 0.1505 16 H -2.2962 -1.0429 -1.1709 H 1 UNL1 0.1307 17 H 1.7939 -3.0828 0.7491 H 1 UNL1 0.1485 18 H 1.7933 -2.6391 -0.9619 H 1 UNL1 0.1483 19 H 2.8198 -1.7596 0.1819 H 1 UNL1 0.1639 20 H -0.9011 1.2185 -0.9397 H 1 UNL1 0.3047 21 HXT 3.0751 1.6132 0.9036 H 1 UNL1 0.3560 22 H -2.8312 -0.6194 1.2666 H 1 UNL1 0.2450 23 H -3.6253 0.7483 -0.4142 H 1 UNL1 0.2336 @BOND 1 12 2 1 2 16 5 1 3 7 20 1 4 7 2 1 5 7 5 1 6 18 6 1 7 2 1 1 8 2 3 1 9 14 4 1 10 23 10 1 11 5 4 1 12 5 9 1 13 1 11 2 14 1 8 1 15 6 19 1 16 6 3 1 17 6 17 1 18 4 3 1 19 4 15 1 20 10 9 1 21 3 13 1 22 8 21 1 23 9 22 1