@MOLECULE kifunensine 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.7348 -2.8842 -0.5988 O.3 1 UNL11111111 -0.5639 2 O 0.9619 0.0331 2.3860 O.3 1 UNL11111111 -0.5623 3 O 2.5879 -0.8508 -0.6409 O.3 1 UNL11111111 -0.5583 4 O 1.1951 2.9663 -1.3748 O.3 1 UNL11111111 -0.5359 5 O -1.9588 1.7936 0.9543 O.2 1 UNL11111111 -0.4141 6 O -3.7749 -0.4158 -0.1232 O.2 1 UNL11111111 -0.3989 7 N -0.4032 0.5689 -0.2205 N.am 1 UNL11111111 -0.5532 8 N -1.7357 -1.2247 -0.8110 N.am 1 UNL11111111 -0.6385 9 C -0.3223 -0.8088 -0.7669 C.3 1 UNL11111111 0.2617 10 C 0.8079 1.2326 0.2555 C.3 1 UNL11111111 -0.0133 11 C 0.4898 -1.7364 0.1872 C.3 1 UNL11111111 0.0336 12 C 1.6291 0.2999 1.1710 C.3 1 UNL11111111 0.0905 13 C 1.8448 -1.0925 0.5333 C.3 1 UNL11111111 0.0744 14 C 1.6571 1.7066 -0.9480 C.3 1 UNL11111111 -0.0038 15 C -1.6774 0.8351 0.2920 C.2 1 UNL11111111 0.4774 16 C -2.5855 -0.3055 -0.2144 C.2 1 UNL11111111 0.4953 17 H 0.1338 -0.8016 -1.7936 H 1 UNL11111111 0.1765 18 H 0.4953 2.1519 0.8390 H 1 UNL11111111 0.1922 19 H -0.0829 -1.9919 1.1039 H 1 UNL11111111 0.1578 20 H 2.6030 0.7620 1.4526 H 1 UNL11111111 0.1597 21 H 2.4457 -1.7478 1.2016 H 1 UNL11111111 0.1455 22 H -2.0111 -2.0769 -1.2583 H 1 UNL11111111 0.3452 23 H 1.6384 0.9943 -1.7914 H 1 UNL11111111 0.1396 24 H 2.7084 1.8990 -0.6624 H 1 UNL11111111 0.1559 25 H 0.8396 -3.6806 -0.0384 H 1 UNL11111111 0.3351 26 H 0.1706 0.6010 2.5031 H 1 UNL11111111 0.3382 27 H 2.5858 -1.6592 -1.2053 H 1 UNL11111111 0.3424 28 H 0.2597 2.9065 -1.6598 H 1 UNL11111111 0.3214 @BOND 1 17 9 1 2 23 14 1 3 28 4 1 4 4 14 1 5 22 8 1 6 27 3 1 7 14 24 1 8 14 10 1 9 8 9 1 10 8 16 am 11 9 7 1 12 9 11 1 13 3 13 1 14 1 25 1 15 1 11 1 16 7 10 1 17 7 15 am 18 16 6 2 19 16 15 1 20 11 13 1 21 11 19 1 22 10 18 1 23 10 12 1 24 15 5 2 25 13 12 1 26 13 21 1 27 12 20 1 28 12 2 1 29 2 26 1