@MOLECULE alpha-muramic acid 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4229 0.7991 0.0570 O.3 1 UNL1111111111 -0.4605 2 O 0.9189 -0.1145 0.5028 O.3 1 UNL1111111111 -0.3381 3 O -1.4711 -0.8220 -2.1437 O.3 1 UNL1111111111 -0.5350 4 O -0.9107 1.5790 1.6066 O.3 1 UNL1111111111 -0.5850 5 O -4.1830 -1.3555 0.8645 O.3 1 UNL1111111111 -0.5481 6 O 4.2710 -1.1984 -0.1061 O.3 1 UNL1111111111 -0.5581 7 O 3.2572 0.6610 -0.7888 O.2 1 UNL1111111111 -0.5105 8 N 0.8402 2.5250 -0.3052 N.3 1 UNL1111111111 -0.6210 9 C 0.2671 0.1077 -0.7380 C.3 1 UNL1111111111 -0.0158 10 C -0.8977 -0.8941 -0.8545 C.3 1 UNL1111111111 0.0506 11 C -0.2258 1.5749 -0.6703 C.3 1 UNL1111111111 -0.0184 12 C -2.0359 -0.5634 0.1239 C.3 1 UNL1111111111 0.0647 13 C -1.4135 1.7349 0.3039 C.3 1 UNL1111111111 0.3457 14 C -3.3240 -1.3119 -0.2536 C.3 1 UNL1111111111 -0.0101 15 C 1.9903 -1.0336 0.4743 C.3 1 UNL1111111111 0.0483 16 C 2.2873 -1.2943 1.9459 C.3 1 UNL1111111111 -0.4470 17 C 3.1908 -0.3856 -0.2016 C.2 1 UNL1111111111 0.5921 18 H 0.9706 -0.0043 -1.5916 H 1 UNL1111111111 0.1354 19 H -0.5393 -1.9358 -0.6867 H 1 UNL1111111111 0.1257 20 H -0.5913 1.8546 -1.6999 H 1 UNL1111111111 0.1715 21 H -1.7163 -0.7836 1.1694 H 1 UNL1111111111 0.1547 22 H -1.9442 2.7088 0.2099 H 1 UNL1111111111 0.1414 23 H -3.1367 -2.3756 -0.4831 H 1 UNL1111111111 0.1468 24 H -3.8351 -0.8296 -1.1084 H 1 UNL1111111111 0.1482 25 H 1.7399 2.1994 -0.6406 H 1 UNL1111111111 0.2704 26 H 0.9124 2.6068 0.7032 H 1 UNL1111111111 0.2649 27 H 1.7128 -1.9669 -0.0679 H 1 UNL1111111111 0.1494 28 H -0.8026 -0.9875 -2.8378 H 1 UNL1111111111 0.3122 29 H -1.6318 1.5449 2.2644 H 1 UNL1111111111 0.3312 30 H 2.4421 -0.3538 2.4959 H 1 UNL1111111111 0.1719 31 H 3.1843 -1.9155 2.0720 H 1 UNL1111111111 0.1723 32 H 1.4436 -1.8031 2.4329 H 1 UNL1111111111 0.1692 33 H -4.4697 -0.4490 1.1018 H 1 UNL1111111111 0.3209 34 H 5.0913 -0.8247 -0.5166 H 1 UNL1111111111 0.3601 @BOND 1 1 12 1 2 1 13 1 3 2 9 1 4 2 15 1 5 3 10 1 6 3 28 1 7 4 13 1 8 4 29 1 9 5 14 1 10 5 33 1 11 6 17 1 12 6 34 1 13 7 17 2 14 8 11 1 15 8 25 1 16 8 26 1 17 9 10 1 18 9 11 1 19 9 18 1 20 10 12 1 21 10 19 1 22 11 13 1 23 11 20 1 24 12 14 1 25 12 21 1 26 13 22 1 27 14 23 1 28 14 24 1 29 15 16 1 30 15 17 1 31 15 27 1 32 16 30 1 33 16 31 1 34 16 32 1