@MOLECULE beta-muramic acid 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.5656 -0.4902 -0.2351 O.3 1 UNL11111111 -0.4771 2 O 1.3020 0.0743 -0.8714 O.3 1 UNL11111111 -0.3789 3 O -0.2117 2.0927 0.7085 O.3 1 UNL11111111 -0.5663 4 O -2.4525 -2.7273 -0.1878 O.3 1 UNL11111111 -0.5021 5 O -4.4164 1.5997 0.4651 O.3 1 UNL11111111 -0.5332 6 O 4.3610 0.6533 0.8602 O.3 1 UNL11111111 -0.5589 7 O 3.0394 -1.1384 0.8693 O.2 1 UNL11111111 -0.5210 8 N 0.4726 -2.5903 -0.0313 N.3 1 UNL11111111 -0.6254 9 C 0.2293 -0.0893 0.0481 C.3 1 UNL11111111 0.0245 10 C -0.7375 1.0931 -0.1470 C.3 1 UNL11111111 0.0525 11 C -0.3781 -1.4479 -0.3921 C.3 1 UNL11111111 -0.0658 12 C -2.1685 0.7496 0.3125 C.3 1 UNL11111111 0.0175 13 C -1.7867 -1.5921 0.2348 C.3 1 UNL11111111 0.3349 14 C -3.2105 1.7299 -0.2523 C.3 1 UNL11111111 -0.0218 15 C 2.3787 0.8608 -0.4051 C.3 1 UNL11111111 0.0651 16 C 3.1411 1.2548 -1.6629 C.3 1 UNL11111111 -0.4541 17 C 3.2449 -0.0173 0.4856 C.2 1 UNL11111111 0.5997 18 H 0.5985 -0.1266 1.0962 H 1 UNL11111111 0.1529 19 H -0.7048 1.4563 -1.1970 H 1 UNL11111111 0.1457 20 H -0.4629 -1.4512 -1.5148 H 1 UNL11111111 0.1775 21 H -2.2291 0.7076 1.4251 H 1 UNL11111111 0.1543 22 H -1.8163 -1.6505 1.3423 H 1 UNL11111111 0.1387 23 H -3.4025 1.5425 -1.3257 H 1 UNL11111111 0.1375 24 H -2.9256 2.7849 -0.0961 H 1 UNL11111111 0.1379 25 H 0.2871 -2.9343 0.8990 H 1 UNL11111111 0.2508 26 H 1.4537 -2.3342 -0.0822 H 1 UNL11111111 0.2826 27 H 2.0137 1.7510 0.1664 H 1 UNL11111111 0.1793 28 H -0.7328 2.9177 0.6571 H 1 UNL11111111 0.3248 29 H -2.4153 -2.8357 -1.1665 H 1 UNL11111111 0.3335 30 H 3.3897 0.3759 -2.2753 H 1 UNL11111111 0.1691 31 H 4.0775 1.7743 -1.4161 H 1 UNL11111111 0.1726 32 H 2.5371 1.9206 -2.2936 H 1 UNL11111111 0.1643 33 H -4.7165 0.6624 0.4311 H 1 UNL11111111 0.3298 34 H 4.9688 0.1296 1.4400 H 1 UNL11111111 0.3591 @BOND 1 32 16 1 2 30 16 1 3 16 31 1 4 16 15 1 5 20 11 1 6 23 14 1 7 19 10 1 8 29 4 1 9 2 15 1 10 2 9 1 11 15 27 1 12 15 17 1 13 11 8 1 14 11 9 1 15 11 13 1 16 14 24 1 17 14 12 1 18 14 5 1 19 1 13 1 20 1 12 1 21 4 13 1 22 10 9 1 23 10 12 1 24 10 3 1 25 26 8 1 26 8 25 1 27 9 18 1 28 13 22 1 29 12 21 1 30 33 5 1 31 17 6 1 32 17 7 2 33 28 3 1 34 6 34 1