@MOLECULE methyl 3-o-benzoyl-2,4-dideoxy-2,4,5-trimethylpentopyranoside 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3648 0.3047 -0.2560 O.3 1 UNL111111111 -0.4721 2 O 0.6983 0.3787 0.2070 O.3 1 UNL111111111 -0.4307 3 O -3.4125 -1.9511 -0.4280 O.3 1 UNL111111111 -0.3691 4 O 1.2368 -1.4820 1.3553 O.2 1 UNL111111111 -0.5077 5 C -1.3109 1.5512 0.0630 C.3 1 UNL111111111 -0.1776 6 C -0.6689 0.2654 0.6161 C.3 1 UNL111111111 0.1223 7 C -1.3125 -1.0004 0.0229 C.3 1 UNL111111111 -0.2055 8 C -2.8313 1.4818 0.3306 C.3 1 UNL111111111 0.1434 9 C -2.8272 -0.8957 0.2863 C.3 1 UNL111111111 0.2979 10 C -0.6903 2.7819 0.7162 C.3 1 UNL111111111 -0.4415 11 C -1.0322 -1.1611 -1.4665 C.3 1 UNL111111111 -0.4210 12 C -3.5997 2.6073 -0.3562 C.3 1 UNL111111111 -0.4657 13 C 1.5689 -0.5561 0.6589 C.2 1 UNL111111111 0.6094 14 C -4.8207 -2.0200 -0.2715 C.3 1 UNL111111111 -0.1952 15 C 2.9332 -0.2648 0.1808 C.ar 1 UNL111111111 -0.1479 16 C 3.9262 -1.2246 0.4005 C.ar 1 UNL111111111 -0.0769 17 C 3.2328 0.9322 -0.4684 C.ar 1 UNL111111111 -0.0787 18 C 5.2263 -0.9770 -0.0285 C.ar 1 UNL111111111 -0.1769 19 C 4.5344 1.1732 -0.9002 C.ar 1 UNL111111111 -0.1785 20 C 5.5303 0.2200 -0.6781 C.ar 1 UNL111111111 -0.1003 21 H -1.1387 1.5879 -1.0408 H 1 UNL111111111 0.1698 22 H -0.6843 0.2371 1.7284 H 1 UNL111111111 0.1336 23 H -0.9171 -1.9016 0.5598 H 1 UNL111111111 0.1800 24 H -3.0431 1.4605 1.4234 H 1 UNL111111111 0.1120 25 H -3.0989 -0.9500 1.3621 H 1 UNL111111111 0.0999 26 H 0.3979 2.7958 0.5660 H 1 UNL111111111 0.1577 27 H -1.0857 3.7091 0.2861 H 1 UNL111111111 0.1445 28 H -0.8684 2.8113 1.7961 H 1 UNL111111111 0.1436 29 H 0.0411 -1.1262 -1.6817 H 1 UNL111111111 0.1462 30 H -1.4242 -2.1197 -1.8352 H 1 UNL111111111 0.1584 31 H -1.5226 -0.3757 -2.0551 H 1 UNL111111111 0.1549 32 H -3.4210 2.6058 -1.4390 H 1 UNL111111111 0.1613 33 H -4.6807 2.4797 -0.2150 H 1 UNL111111111 0.1586 34 H -3.3155 3.5871 0.0393 H 1 UNL111111111 0.1506 35 H -5.0941 -2.8830 -0.8912 H 1 UNL111111111 0.1433 36 H -5.2988 -1.1099 -0.6499 H 1 UNL111111111 0.1391 37 H -5.0875 -2.1944 0.7743 H 1 UNL111111111 0.1184 38 H 3.6747 -2.1596 0.9086 H 1 UNL111111111 0.1733 39 H 2.4527 1.6769 -0.6417 H 1 UNL111111111 0.1685 40 H 6.0067 -1.7165 0.1407 H 1 UNL111111111 0.1559 41 H 4.7753 2.1046 -1.4094 H 1 UNL111111111 0.1548 42 H 6.5494 0.4116 -1.0139 H 1 UNL111111111 0.1480 @BOND 1 1 8 1 2 1 9 1 3 2 6 1 4 2 13 1 5 3 9 1 6 3 14 1 7 4 13 2 8 5 6 1 9 5 8 1 10 5 10 1 11 5 21 1 12 6 7 1 13 6 22 1 14 7 9 1 15 7 11 1 16 7 23 1 17 8 12 1 18 8 24 1 19 9 25 1 20 10 26 1 21 10 27 1 22 10 28 1 23 11 29 1 24 11 30 1 25 11 31 1 26 12 32 1 27 12 33 1 28 12 34 1 29 13 15 1 30 14 35 1 31 14 36 1 32 14 37 1 33 15 16 ar 34 15 17 ar 35 16 18 ar 36 16 38 1 37 17 19 ar 38 17 39 1 39 18 20 ar 40 18 40 1 41 19 20 ar 42 19 41 1 43 20 42 1