@MOLECULE alpha-d-xylopyranose 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.2824 0.2519 0.5139 C.3 1 UNL11111111 0.3067 2 C -0.5012 0.7821 -0.7143 C.3 1 UNL11111111 0.0108 3 C 0.9861 0.9455 -0.3465 C.3 1 UNL11111111 0.0380 4 O 1.1271 1.8964 0.6886 O.3 1 UNL11111111 -0.5506 5 C 1.5415 -0.3636 0.2615 C.3 1 UNL11111111 0.0762 6 C 0.5941 -0.9532 1.3168 C.3 1 UNL11111111 -0.0421 7 O -0.7394 -1.0174 0.8697 O.3 1 UNL11111111 -0.4343 8 O 1.6012 -1.3439 -0.7605 O.3 1 UNL11111111 -0.5500 9 O -0.6195 -0.1383 -1.7674 O.3 1 UNL11111111 -0.5458 10 O -2.6078 0.0176 0.1756 O.3 1 UNL11111111 -0.5241 11 H 0.6492 -0.3742 2.2578 H 1 UNL11111111 0.1384 12 H 0.8252 -2.0218 1.5089 H 1 UNL11111111 0.1653 13 H -1.3116 0.9314 1.3873 H 1 UNL11111111 0.1443 14 H -0.9563 1.7110 -1.1156 H 1 UNL11111111 0.1556 15 H 1.5809 1.2614 -1.2299 H 1 UNL11111111 0.1320 16 H 2.5584 -0.2040 0.6827 H 1 UNL11111111 0.1389 17 H -2.6641 -0.6057 -0.5908 H 1 UNL11111111 0.3426 18 H -0.1533 -0.9823 -1.5212 H 1 UNL11111111 0.3534 19 H 2.2707 -1.1114 -1.4359 H 1 UNL11111111 0.3196 20 H 0.9122 2.7954 0.3671 H 1 UNL11111111 0.3251 @BOND 1 9 18 1 2 9 2 1 3 19 8 1 4 15 3 1 5 14 2 1 6 8 5 1 7 2 3 1 8 2 1 1 9 17 10 1 10 3 5 1 11 3 4 1 12 10 1 1 13 5 16 1 14 5 6 1 15 20 4 1 16 1 7 1 17 1 13 1 18 7 6 1 19 6 12 1 20 6 11 1