@MOLECULE n-acetyl-alpha-d-glucosamine 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.0902 -1.1200 -0.0157 O.3 1 UNL111111111 -0.4663 2 O 0.7864 2.4674 -0.8824 O.3 1 UNL111111111 -0.5530 3 O -0.7219 1.5829 1.2000 O.3 1 UNL111111111 -0.5662 4 O -0.5887 -1.1644 -2.2647 O.3 1 UNL111111111 -0.5929 5 O -3.7751 -1.0796 1.0120 O.3 1 UNL111111111 -0.5440 6 O 3.3825 -0.9741 -0.3108 O.2 1 UNL111111111 -0.5250 7 N 1.5110 0.0438 0.4388 N.am 1 UNL111111111 -0.6334 8 C 0.0380 1.2915 -1.0895 C.3 1 UNL111111111 0.0864 9 C 0.8854 0.0184 -0.8809 C.3 1 UNL111111111 -0.0294 10 C -1.1692 1.3480 -0.1250 C.3 1 UNL111111111 0.0509 11 C -1.9378 0.0182 -0.0918 C.3 1 UNL111111111 0.0515 12 C -0.0673 -1.2026 -0.9641 C.3 1 UNL111111111 0.3312 13 C -2.7837 -0.0933 1.1880 C.3 1 UNL111111111 -0.0059 14 C 2.7489 -0.5542 0.6335 C.2 1 UNL111111111 0.6078 15 C 3.2327 -0.5845 2.0539 C.3 1 UNL111111111 -0.5268 16 H -0.2984 1.3617 -2.1530 H 1 UNL111111111 0.1702 17 H 1.6725 -0.0617 -1.6823 H 1 UNL111111111 0.1997 18 H -1.8471 2.1880 -0.4051 H 1 UNL111111111 0.1412 19 H -2.5645 -0.0925 -1.0070 H 1 UNL111111111 0.1515 20 H 0.4098 -2.1807 -0.7427 H 1 UNL111111111 0.1457 21 H -3.3596 0.8290 1.3865 H 1 UNL111111111 0.1532 22 H -2.1587 -0.3377 2.0668 H 1 UNL111111111 0.1424 23 H 0.8812 0.2686 1.2057 H 1 UNL111111111 0.3396 24 H 1.5825 2.2824 -0.3380 H 1 UNL111111111 0.3336 25 H -0.2554 2.4490 1.2328 H 1 UNL111111111 0.3337 26 H -1.2486 -1.8709 -2.4136 H 1 UNL111111111 0.3408 27 H -3.3562 -1.9537 0.8662 H 1 UNL111111111 0.3209 28 H 2.5828 -1.1947 2.6960 H 1 UNL111111111 0.1766 29 H 4.2435 -1.0243 2.0994 H 1 UNL111111111 0.1909 30 H 3.2943 0.4204 2.4921 H 1 UNL111111111 0.1752 @BOND 1 26 4 1 2 4 12 1 3 16 8 1 4 17 9 1 5 8 2 1 6 8 9 1 7 8 10 1 8 19 11 1 9 12 9 1 10 12 20 1 11 12 1 1 12 2 24 1 13 9 7 1 14 18 10 1 15 6 14 2 16 10 11 1 17 10 3 1 18 11 1 1 19 11 13 1 20 7 14 am 21 7 23 1 22 14 15 1 23 27 5 1 24 5 13 1 25 13 21 1 26 13 22 1 27 3 25 1 28 15 29 1 29 15 30 1 30 15 28 1