@MOLECULE kaempferide 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.3075 -0.7454 0.0502 O.2 1 UNL1 -0.2352 2 O 0.4147 2.7960 -0.1787 O.3 1 UNL1 -0.4247 3 O -4.6227 1.3902 -0.0831 O.3 1 UNL1 -0.4522 4 O -2.3444 2.7869 -0.1740 O.2 1 UNL1 -0.5461 5 O -4.1633 -3.3071 0.1831 O.3 1 UNL1 -0.4530 6 O 5.8717 -0.3555 0.2085 O.3 1 UNL1 -0.3095 7 C -2.4240 0.4356 -0.0283 C.ar 1 UNL1 -0.4876 8 C -1.6654 -0.7459 0.0418 C.ar 1 UNL1 0.3775 9 C 0.3647 0.4599 -0.0175 C.ar 1 UNL1 0.1803 10 C 1.7949 0.2153 0.0140 C.ar 1 UNL1 -0.1260 11 C -0.2965 1.6403 -0.0963 C.ar 1 UNL1 -0.0197 12 C -1.7615 1.7114 -0.1047 C.ar 1 UNL1 0.4978 13 C -3.8366 0.3160 -0.0219 C.ar 1 UNL1 0.4821 14 C -2.2450 -2.0083 0.1125 C.ar 1 UNL1 -0.4275 15 C -3.6454 -2.0648 0.1137 C.ar 1 UNL1 0.4408 16 C -4.4616 -0.9308 0.0486 C.ar 1 UNL1 -0.4961 17 C 2.6557 1.1741 0.5731 C.ar 1 UNL1 -0.0293 18 C 2.3159 -0.9755 -0.5031 C.ar 1 UNL1 -0.0333 19 C 4.0200 0.9447 0.6171 C.ar 1 UNL1 -0.2714 20 C 3.6846 -1.2235 -0.4665 C.ar 1 UNL1 -0.3210 21 C 4.5242 -0.2598 0.0956 C.ar 1 UNL1 0.2797 22 C 6.4904 -1.5293 -0.3017 C.3 1 UNL1 -0.2044 23 H -1.6491 -2.9134 0.1690 H 1 UNL1 0.2040 24 H -5.5427 -0.9951 0.0516 H 1 UNL1 0.1931 25 H 2.2461 2.1054 0.9770 H 1 UNL1 0.1778 26 H 1.6466 -1.7184 -0.9426 H 1 UNL1 0.1623 27 H 4.7036 1.6747 1.0441 H 1 UNL1 0.1772 28 H 4.0771 -2.1496 -0.8707 H 1 UNL1 0.1659 29 H -0.2228 3.5674 -0.2478 H 1 UNL1 0.3467 30 H -4.0663 2.2475 -0.1366 H 1 UNL1 0.3856 31 H -5.1556 -3.3088 0.1850 H 1 UNL1 0.3374 32 H 6.3248 -1.6226 -1.3794 H 1 UNL1 0.1368 33 H 6.1475 -2.4175 0.2373 H 1 UNL1 0.1362 34 H 7.5526 -1.3392 -0.0919 H 1 UNL1 0.1558 @BOND 1 32 22 1 2 26 18 1 3 28 20 1 4 18 20 ar 5 18 10 ar 6 20 21 ar 7 22 34 1 8 22 6 1 9 22 33 1 10 29 2 1 11 2 11 1 12 4 12 2 13 30 3 1 14 12 11 ar 15 12 7 ar 16 11 9 ar 17 3 13 1 18 7 13 ar 19 7 8 ar 20 13 16 ar 21 9 10 1 22 9 1 ar 23 10 17 ar 24 8 1 ar 25 8 14 ar 26 16 24 1 27 16 15 ar 28 21 6 1 29 21 19 ar 30 14 15 ar 31 14 23 1 32 15 5 1 33 5 31 1 34 17 19 ar 35 17 25 1 36 19 27 1