@MOLECULE d-(+)-xylose 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.4766 0.6476 0.1487 C.3 1 UNL1111111111 -0.0213 2 C -1.2146 -0.2227 0.2681 C.3 1 UNL1111111111 0.0579 3 C 0.0461 0.6430 0.4581 C.3 1 UNL1111111111 0.0611 4 C 1.3015 -0.1961 0.7890 C.3 1 UNL1111111111 -0.0208 5 C 2.5404 0.5573 0.3100 C.2 1 UNL1111111111 0.3246 6 O -3.6198 -0.1673 0.2713 O.3 1 UNL1111111111 -0.5391 7 O -1.1286 -0.8799 -0.9837 O.3 1 UNL1111111111 -0.5704 8 O 0.3065 1.3937 -0.7025 O.3 1 UNL1111111111 -0.5553 9 O 1.2060 -1.4631 0.1767 O.3 1 UNL1111111111 -0.5615 10 O 3.3656 -0.0224 -0.3505 O.2 1 UNL1111111111 -0.4293 11 H -2.5071 1.1849 -0.8178 H 1 UNL1111111111 0.1399 12 H -2.5766 1.3657 0.9816 H 1 UNL1111111111 0.1431 13 H -1.3203 -0.9847 1.0716 H 1 UNL1111111111 0.1490 14 H -0.1052 1.4229 1.2415 H 1 UNL1111111111 0.1502 15 H 1.3636 -0.4115 1.8826 H 1 UNL1111111111 0.1589 16 H 2.6394 1.6108 0.5860 H 1 UNL1111111111 0.1356 17 H -3.5984 -0.8705 -0.4163 H 1 UNL1111111111 0.3280 18 H -0.3617 -1.5038 -0.9569 H 1 UNL1111111111 0.3472 19 H 0.0449 0.8773 -1.5060 H 1 UNL1111111111 0.3485 20 H 2.0156 -1.6432 -0.3691 H 1 UNL1111111111 0.3537 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 6 1 6 2 7 1 7 3 8 1 8 4 9 1 9 5 10 2 10 1 11 1 11 1 12 1 12 2 13 1 13 3 14 1 14 4 15 1 15 5 16 1 16 6 17 1 17 7 18 1 18 8 19 1 19 9 20 1