@MOLECULE 2-acetamido-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose 51 52 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7331 -1.0403 0.3463 O.3 1 UNL11111111 -0.4307 2 O 2.5205 -2.2058 -0.6503 O.3 1 UNL11111111 -0.4487 3 O -1.6547 0.8056 -0.5067 O.3 1 UNL11111111 -0.5244 4 O 0.8428 1.4320 0.2668 O.3 1 UNL11111111 -0.5508 5 O -3.4614 -2.2363 0.3200 O.3 1 UNL11111111 -0.5528 6 O -5.1975 -0.1202 1.3093 O.3 1 UNL11111111 -0.5116 7 O -3.3498 1.9206 1.3834 O.3 1 UNL11111111 -0.4984 8 O 3.4927 -1.7391 1.4022 O.3 1 UNL11111111 -0.5702 9 O 0.5348 -4.5655 -0.7348 O.3 1 UNL11111111 -0.5399 10 O -1.2337 3.0446 -2.0282 O.3 1 UNL11111111 -0.5297 11 O 4.2602 2.2217 -0.9904 O.2 1 UNL11111111 -0.5287 12 N 3.6304 0.9885 0.7988 N.am 1 UNL11111111 -0.5973 13 C 0.5127 -0.8953 -0.3247 C.3 1 UNL11111111 0.0010 14 C 1.3246 0.1304 0.4960 C.3 1 UNL11111111 0.0838 15 C 2.7880 0.1206 -0.0026 C.3 1 UNL11111111 -0.0328 16 C 1.1631 -2.2901 -0.2565 C.3 1 UNL11111111 0.0347 17 C -1.8585 -0.5898 -0.3596 C.3 1 UNL11111111 0.2876 18 C -3.0357 -0.9170 0.5854 C.3 1 UNL11111111 0.0247 19 C -4.2622 -0.0434 0.2621 C.3 1 UNL11111111 0.0671 20 C -3.8576 1.4448 0.1665 C.3 1 UNL11111111 0.0664 21 C 3.3395 -1.3325 0.0773 C.3 1 UNL11111111 0.3327 22 C -2.7770 1.5681 -0.9259 C.3 1 UNL11111111 0.0299 23 C 0.5503 -3.2655 -1.2750 C.3 1 UNL11111111 -0.0126 24 C -2.2144 2.9971 -1.0216 C.3 1 UNL11111111 -0.0159 25 C 4.2890 2.0594 0.2107 C.2 1 UNL11111111 0.6241 26 C 5.0478 2.9432 1.1599 C.3 1 UNL11111111 -0.5296 27 H 0.3861 -0.5427 -1.3705 H 1 UNL11111111 0.1607 28 H 1.2410 -0.0637 1.5881 H 1 UNL11111111 0.1341 29 H 2.8086 0.4656 -1.0799 H 1 UNL11111111 0.2073 30 H 1.0942 -2.7142 0.7708 H 1 UNL11111111 0.1485 31 H -1.9337 -1.0487 -1.3659 H 1 UNL11111111 0.1330 32 H -2.7441 -0.8306 1.6571 H 1 UNL11111111 0.1638 33 H -4.7582 -0.3925 -0.6744 H 1 UNL11111111 0.1423 34 H -4.7483 2.0903 -0.0055 H 1 UNL11111111 0.1746 35 H 4.3477 -1.4693 -0.3757 H 1 UNL11111111 0.1751 36 H -3.1132 1.1992 -1.9175 H 1 UNL11111111 0.1465 37 H -0.5200 -3.0572 -1.4588 H 1 UNL11111111 0.1459 38 H 1.1073 -3.2591 -2.2317 H 1 UNL11111111 0.1436 39 H 3.6234 0.8418 1.7934 H 1 UNL11111111 0.3157 40 H -1.7970 3.3441 -0.0582 H 1 UNL11111111 0.1409 41 H -2.9877 3.7103 -1.3665 H 1 UNL11111111 0.1555 42 H -0.1401 1.4142 0.2163 H 1 UNL11111111 0.3388 43 H -2.7426 -2.8772 0.5214 H 1 UNL11111111 0.3379 44 H -5.4119 -1.0646 1.4906 H 1 UNL11111111 0.3251 45 H -2.4560 1.5417 1.5487 H 1 UNL11111111 0.3159 46 H 2.6449 -1.8729 1.8643 H 1 UNL11111111 0.3242 47 H 1.4502 -4.8887 -0.5906 H 1 UNL11111111 0.3245 48 H -0.4169 2.5798 -1.7299 H 1 UNL11111111 0.3316 49 H 5.7487 2.3797 1.7883 H 1 UNL11111111 0.1723 50 H 4.3676 3.5029 1.8170 H 1 UNL11111111 0.1766 51 H 5.6353 3.6854 0.5946 H 1 UNL11111111 0.1876 @BOND 1 38 23 1 2 10 48 1 3 10 24 1 4 36 22 1 5 37 23 1 6 27 13 1 7 41 24 1 8 31 17 1 9 23 9 1 10 23 16 1 11 29 15 1 12 24 22 1 13 24 40 1 14 11 25 2 15 22 3 1 16 22 20 1 17 9 47 1 18 33 19 1 19 2 16 1 20 2 21 1 21 3 17 1 22 35 21 1 23 17 1 1 24 17 18 1 25 13 16 1 26 13 1 1 27 13 14 1 28 16 30 1 29 34 20 1 30 15 21 1 31 15 14 1 32 15 12 1 33 21 8 1 34 20 19 1 35 20 7 1 36 25 12 am 37 25 26 1 38 42 4 1 39 19 18 1 40 19 6 1 41 4 14 1 42 5 43 1 43 5 18 1 44 14 28 1 45 18 32 1 46 51 26 1 47 12 39 1 48 26 49 1 49 26 50 1 50 6 44 1 51 7 45 1 52 8 46 1