@MOLECULE 5-deoxykampferol 30 32 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3213 -0.7372 0.0066 O.3 1 UNL11111111 -0.0725 2 O 0.7405 2.7658 -0.0105 O.2 1 UNL11111111 -0.2617 3 O -1.9446 3.0402 -0.0178 O.2 1 UNL11111111 -0.2224 4 O -4.4763 -2.7843 0.0160 O.3 1 UNL11111111 -0.3364 5 O 5.8228 -1.1383 -0.0758 O.3 1 UNL11111111 -0.3271 6 C -2.2813 0.7063 -0.0050 C.ar 1 UNL11111111 -0.1972 7 C 0.4722 0.3908 0.0022 C.2 1 UNL11111111 -0.3180 8 C -1.6688 -0.5536 0.0037 C.ar 1 UNL11111111 0.3635 9 C 1.8758 -0.0043 0.0068 C.ar 1 UNL11111111 0.4686 10 C -0.0195 1.6470 -0.0061 C.2 1 UNL11111111 -0.0909 11 C -1.4764 1.9290 -0.0106 C.2 1 UNL11111111 0.2595 12 C -3.6823 0.7797 -0.0086 C.ar 1 UNL11111111 -0.0647 13 C -2.4054 -1.7414 0.0107 C.ar 1 UNL11111111 -0.5451 14 C -3.7927 -1.6183 0.0081 C.ar 1 UNL11111111 0.2740 15 C 2.5478 -0.1631 1.2212 C.ar 1 UNL11111111 -0.2863 16 C 2.5306 -0.2447 -1.2089 C.ar 1 UNL11111111 -0.3747 17 C -4.4487 -0.3728 -0.0020 C.ar 1 UNL11111111 -0.4674 18 C 3.8868 -0.5406 1.2340 C.ar 1 UNL11111111 -0.3592 19 C 3.8646 -0.6223 -1.2183 C.ar 1 UNL11111111 -0.1841 20 C 4.5239 -0.7644 0.0106 C.ar 1 UNL11111111 0.0968 21 H -4.1568 1.7683 -0.0162 H 1 UNL11111111 0.2107 22 H -1.9216 -2.7138 0.0178 H 1 UNL11111111 0.3186 23 H 2.0188 0.0061 2.1613 H 1 UNL11111111 0.2283 24 H 1.9835 -0.1364 -2.1480 H 1 UNL11111111 0.2469 25 H -5.5310 -0.3206 -0.0049 H 1 UNL11111111 0.2335 26 H 4.4167 -0.6654 2.1718 H 1 UNL11111111 0.2330 27 H 4.4004 -0.8151 -2.1451 H 1 UNL11111111 0.2304 28 H 1.7104 2.5379 -0.0155 H 1 UNL11111111 0.2896 29 H -5.4575 -2.6506 0.0133 H 1 UNL11111111 0.3267 30 H 6.2517 -1.2286 0.8108 H 1 UNL11111111 0.3279 @BOND 1 24 16 1 2 27 19 1 3 19 16 ar 4 19 20 ar 5 16 9 ar 6 5 20 1 7 5 30 1 8 3 11 2 9 21 12 1 10 28 2 1 11 11 10 1 12 11 6 1 13 2 10 1 14 12 6 ar 15 12 17 ar 16 10 7 2 17 6 8 ar 18 25 17 1 19 17 14 ar 20 7 1 1 21 7 9 1 22 8 1 1 23 8 13 ar 24 9 15 ar 25 14 13 ar 26 14 4 1 27 20 18 ar 28 13 22 1 29 29 4 1 30 15 18 ar 31 15 23 1 32 18 26 1