@MOLECULE (3s,5s)-3-hydroxy-5-methyl-l-proline 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 O1 0.0447 -2.4184 0.1918 O.3 1 <1> -0.5564 2 O2 2.3132 -0.4194 -0.6132 O.3 1 <1> -0.6140 3 O3 2.0343 1.6812 0.0656 O.2 1 <1> -0.4515 4 N1 -0.6306 0.9894 0.8489 N.3 1 <1> -0.5546 5 C1 -1.9396 0.5394 0.2946 C.3 1 <1> 0.0938 6 C2 -0.2655 -1.1338 -0.2903 C.3 1 <1> 0.1723 7 C3 -1.7772 -0.9392 -0.1251 C.3 1 <1> -0.3525 8 C4 0.3771 -0.0619 0.6472 C.3 1 <1> -0.0835 9 C5 -2.2716 1.4313 -0.9076 C.3 1 <1> -0.4561 10 C6 1.6054 0.5663 0.0259 C.2 1 <1> 0.6231 11 H1 -2.7408 0.6430 1.0654 H 1 <1> 0.1221 12 H2 0.0720 -1.0397 -1.3413 H 1 <1> 0.1366 13 H3 -2.3269 -1.1774 -1.0471 H 1 <1> 0.1597 14 H4 -2.1668 -1.6293 0.6463 H 1 <1> 0.1682 15 H5 0.6953 -0.5561 1.6052 H 1 <1> 0.1702 16 H6 -0.6892 1.2954 1.8122 H 1 <1> 0.2721 17 H7 -2.2715 2.4905 -0.6164 H 1 <1> 0.1609 18 H8 -1.5177 1.3312 -1.6980 H 1 <1> 0.1574 19 H9 -3.2507 1.1903 -1.3287 H 1 <1> 0.1408 20 H10 0.9889 -2.6232 0.0079 H 1 <1> 0.3308 21 H11 3.1532 -0.1077 -1.0213 H 1 <1> 0.3608 @BOND 1 18 9 1 2 12 6 1 3 19 9 1 4 21 2 1 5 13 7 1 6 9 17 1 7 9 5 1 8 2 10 1 9 6 7 1 10 6 1 1 11 6 8 1 12 7 5 1 13 7 14 1 14 20 1 1 15 10 3 2 16 10 8 1 17 5 4 1 18 5 11 1 19 8 4 1 20 8 15 1 21 4 16 1