@MOLECULE n-acetyl-alpha-d-glucosamine 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.5179 -1.0722 -0.6810 O.3 1 UNL11111111 -0.4662 2 O 1.0164 2.0613 0.0172 O.3 1 UNL11111111 -0.6039 3 O -1.7063 2.2097 0.7731 O.3 1 UNL11111111 -0.5494 4 O -0.1826 -1.9775 0.9671 O.3 1 UNL11111111 -0.6154 5 O -4.3089 -0.8372 -0.0226 O.3 1 UNL11111111 -0.5362 6 O 3.2460 0.8266 -0.8486 O.2 1 UNL11111111 -0.5724 7 N 2.0700 -0.8279 0.1362 N.am 1 UNL11111111 -0.6021 8 C 0.2865 0.9065 0.3493 C.3 1 UNL11111111 0.0820 9 C 0.8049 -0.3354 -0.4136 C.3 1 UNL11111111 -0.0406 10 C -1.1621 1.2287 -0.0814 C.3 1 UNL11111111 0.0699 11 C -2.0499 -0.0110 0.1110 C.3 1 UNL11111111 0.0465 12 C -0.2320 -1.4902 -0.3511 C.3 1 UNL11111111 0.3460 13 C -3.4592 0.2038 -0.4509 C.3 1 UNL11111111 -0.0166 14 C 3.2497 -0.1672 -0.1395 C.2 1 UNL11111111 0.6266 15 C 4.4963 -0.7631 0.4398 C.3 1 UNL11111111 -0.5241 16 H 0.3670 0.7829 1.4525 H 1 UNL11111111 0.1549 17 H 0.9607 -0.0493 -1.4940 H 1 UNL11111111 0.1827 18 H -1.1897 1.6182 -1.1232 H 1 UNL11111111 0.1473 19 H -2.0868 -0.3279 1.1768 H 1 UNL11111111 0.1594 20 H -0.0357 -2.3181 -1.0683 H 1 UNL11111111 0.1432 21 H -3.4665 0.2604 -1.5534 H 1 UNL11111111 0.1302 22 H -3.9197 1.1161 -0.0165 H 1 UNL11111111 0.1709 23 H 2.0038 -1.5509 0.8406 H 1 UNL11111111 0.3332 24 H 1.8830 1.8335 -0.4024 H 1 UNL11111111 0.3721 25 H -1.0656 2.9561 0.8582 H 1 UNL11111111 0.3443 26 H -0.9698 -2.5158 1.1862 H 1 UNL11111111 0.3516 27 H -3.9998 -1.6916 -0.3878 H 1 UNL11111111 0.3149 28 H 5.3866 -0.2676 0.0137 H 1 UNL11111111 0.1939 29 H 4.5439 -0.6233 1.5297 H 1 UNL11111111 0.1807 30 H 4.5888 -1.8367 0.2294 H 1 UNL11111111 0.1767 @BOND 1 21 13 1 2 17 9 1 3 18 10 1 4 20 12 1 5 6 14 2 6 1 12 1 7 1 11 1 8 13 5 1 9 13 22 1 10 13 11 1 11 9 12 1 12 9 7 1 13 9 8 1 14 24 2 1 15 27 5 1 16 12 4 1 17 14 7 am 18 14 15 1 19 10 11 1 20 10 8 1 21 10 3 1 22 28 15 1 23 2 8 1 24 11 19 1 25 7 23 1 26 30 15 1 27 8 16 1 28 15 29 1 29 3 25 1 30 4 26 1