@MOLECULE curcumin 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.3246 1.3290 0.8149 O.3 1 UNL1111111111 -0.3435 2 O 7.4257 1.1060 -0.9143 O.3 1 UNL1111111111 -0.2573 3 O -6.2199 3.3113 -0.6315 O.3 1 UNL1111111111 -0.4492 4 O 7.6331 1.5590 1.6036 O.3 1 UNL1111111111 -0.4271 5 O -2.0215 -3.9542 -0.0760 O.2 1 UNL1111111111 -0.4614 6 O 0.4174 -1.4587 -1.4332 O.2 1 UNL1111111111 -0.4516 7 C -4.2059 -0.2886 -0.3488 C.ar 1 UNL1111111111 -0.0504 8 C 4.0462 0.0682 0.1846 C.ar 1 UNL1111111111 -0.0522 9 C 0.0151 -2.8721 0.4313 C.3 1 UNL1111111111 -0.4994 10 C -5.4363 -0.1597 0.3152 C.ar 1 UNL1111111111 -0.2195 11 C 5.1118 0.3319 -0.6954 C.ar 1 UNL1111111111 -0.2409 12 C -6.1229 1.0401 0.2361 C.ar 1 UNL1111111111 0.1032 13 C 6.3081 0.8217 -0.1983 C.ar 1 UNL1111111111 0.1536 14 C -3.6922 0.7687 -1.0991 C.ar 1 UNL1111111111 -0.1264 15 C 4.1817 0.3125 1.5466 C.ar 1 UNL1111111111 -0.1293 16 C -3.4743 -1.5486 -0.2382 C.2 1 UNL1111111111 -0.0286 17 C 2.7976 -0.4540 -0.3629 C.2 1 UNL1111111111 -0.0118 18 C -5.5946 2.1129 -0.5195 C.ar 1 UNL1111111111 0.2079 19 C 6.4357 1.0707 1.1950 C.ar 1 UNL1111111111 0.2041 20 C -1.4564 -2.8956 0.0676 C.2 1 UNL1111111111 0.5062 21 C 0.8061 -1.8658 -0.3637 C.2 1 UNL1111111111 0.4907 22 C -4.3863 1.9751 -1.1928 C.ar 1 UNL1111111111 -0.2040 23 C 5.3800 0.8212 2.0584 C.ar 1 UNL1111111111 -0.2635 24 C -2.1500 -1.6031 -0.0332 C.2 1 UNL1111111111 -0.3090 25 C 2.0724 -1.4119 0.2354 C.2 1 UNL1111111111 -0.3369 26 C -7.8464 0.3630 1.7165 C.3 1 UNL1111111111 -0.1849 27 C 7.3513 0.8822 -2.3174 C.3 1 UNL1111111111 -0.2192 28 H 0.4529 -3.8844 0.2642 H 1 UNL1111111111 0.2023 29 H 0.1066 -2.6936 1.5229 H 1 UNL1111111111 0.1874 30 H -5.8292 -0.9968 0.8859 H 1 UNL1111111111 0.1663 31 H 4.9846 0.1375 -1.7577 H 1 UNL1111111111 0.1708 32 H -2.7430 0.6523 -1.6251 H 1 UNL1111111111 0.1695 33 H 3.3515 0.1181 2.2241 H 1 UNL1111111111 0.1592 34 H -4.0743 -2.4638 -0.3232 H 1 UNL1111111111 0.1711 35 H 2.4723 -0.0141 -1.3163 H 1 UNL1111111111 0.1728 36 H -3.9972 2.8069 -1.7780 H 1 UNL1111111111 0.1795 37 H 5.4771 1.0164 3.1227 H 1 UNL1111111111 0.1640 38 H -1.5364 -0.7080 0.0504 H 1 UNL1111111111 0.1754 39 H 2.3807 -1.8854 1.1630 H 1 UNL1111111111 0.1684 40 H -7.0663 3.3253 -0.1136 H 1 UNL1111111111 0.3380 41 H 7.6477 1.7094 2.5831 H 1 UNL1111111111 0.3200 42 H -7.1536 0.1827 2.5445 H 1 UNL1111111111 0.1355 43 H -8.0933 -0.5640 1.1885 H 1 UNL1111111111 0.1368 44 H -8.7602 0.8551 2.0775 H 1 UNL1111111111 0.1523 45 H 6.5937 1.5219 -2.7800 H 1 UNL1111111111 0.1366 46 H 7.1788 -0.1750 -2.5405 H 1 UNL1111111111 0.1367 47 H 8.3570 1.1825 -2.6452 H 1 UNL1111111111 0.1579 @BOND 1 1 12 1 2 1 26 1 3 2 13 1 4 2 27 1 5 3 18 1 6 3 40 1 7 4 19 1 8 4 41 1 9 5 20 2 10 6 21 2 11 7 10 ar 12 7 14 ar 13 7 16 1 14 8 11 ar 15 8 15 ar 16 8 17 1 17 9 20 1 18 9 21 1 19 9 28 1 20 9 29 1 21 10 12 ar 22 10 30 1 23 11 13 ar 24 11 31 1 25 12 18 ar 26 13 19 ar 27 14 22 ar 28 14 32 1 29 15 23 ar 30 15 33 1 31 16 24 2 32 16 34 1 33 17 25 2 34 17 35 1 35 18 22 ar 36 19 23 ar 37 20 24 1 38 21 25 1 39 22 36 1 40 23 37 1 41 24 38 1 42 25 39 1 43 26 42 1 44 26 43 1 45 26 44 1 46 27 45 1 47 27 46 1 48 27 47 1