@MOLECULE hinokiflavone 58 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.1068 -0.3642 0.4444 O.2 1 UNL1 -0.2639 2 O 0.3990 -3.0718 -0.4627 O.3 1 UNL1 -0.2404 3 O -4.6120 0.5178 -0.0564 O.2 1 UNL1 -0.2671 4 O 1.2257 -1.1673 -2.2876 O.3 1 UNL1 -0.4221 5 O 1.9108 -3.4594 1.8070 O.3 1 UNL1 -0.4211 6 O 3.1048 0.5295 -2.9930 O.2 1 UNL1 -0.5317 7 O -9.3185 1.0588 0.7758 O.3 1 UNL1 -0.4588 8 O -8.1255 -1.2889 0.9500 O.2 1 UNL1 -0.5414 9 O -6.5568 4.7142 -0.3987 O.3 1 UNL1 -0.4532 10 O 10.3554 2.5672 1.6307 O.3 1 UNL1 -0.4590 11 C 3.2035 -0.7091 -1.0073 C.ar 1 UNL1 -0.4770 12 C 3.9281 -0.9889 0.1580 C.ar 1 UNL1 0.3730 13 C 1.9809 -1.3870 -1.2200 C.ar 1 UNL1 0.4242 14 C 1.5280 -2.3069 -0.2625 C.ar 1 UNL1 -0.1908 15 C 5.6000 0.5560 -0.4510 C.ar 1 UNL1 0.3213 16 C -3.3349 -1.3883 0.0384 C.ar 1 UNL1 -0.1551 17 C -4.6745 -0.8316 0.1967 C.ar 1 UNL1 0.3166 18 C 3.7141 0.2593 -1.9669 C.ar 1 UNL1 0.5574 19 C 3.5136 -1.9095 1.1155 C.ar 1 UNL1 -0.4121 20 C 2.3007 -2.5675 0.8824 C.ar 1 UNL1 0.3888 21 C -6.9860 0.6778 0.3840 C.ar 1 UNL1 -0.4904 22 C -5.7565 1.2558 0.0426 C.ar 1 UNL1 0.3774 23 C 4.9840 0.8709 -1.6072 C.ar 1 UNL1 -0.4377 24 C -0.7974 -2.4249 -0.2781 C.ar 1 UNL1 0.2596 25 C 6.8464 1.0953 0.0784 C.ar 1 UNL1 -0.1744 26 C -5.8096 -1.4721 0.5366 C.ar 1 UNL1 -0.4358 27 C -7.0689 -0.7487 0.6501 C.ar 1 UNL1 0.5568 28 C -3.1705 -2.6709 -0.5030 C.ar 1 UNL1 -0.0420 29 C -2.2197 -0.6304 0.4141 C.ar 1 UNL1 -0.0286 30 C -1.8996 -3.2010 -0.6643 C.ar 1 UNL1 -0.2580 31 C -0.9384 -1.1473 0.2624 C.ar 1 UNL1 -0.2810 32 C -8.1144 1.5290 0.4574 C.ar 1 UNL1 0.4772 33 C -5.5987 2.6104 -0.2212 C.ar 1 UNL1 -0.4250 34 C -6.7511 3.4060 -0.1343 C.ar 1 UNL1 0.4326 35 C -8.0093 2.9004 0.1993 C.ar 1 UNL1 -0.4927 36 C 7.1801 2.4318 -0.1688 C.ar 1 UNL1 -0.0202 37 C 7.6990 0.2807 0.8405 C.ar 1 UNL1 -0.0240 38 C 8.3589 2.9652 0.3377 C.ar 1 UNL1 -0.3262 39 C 8.8802 0.7924 1.3528 C.ar 1 UNL1 -0.2649 40 C 9.1917 2.1349 1.0944 C.ar 1 UNL1 0.3300 41 H 4.0965 -2.1144 2.0085 H 1 UNL1 0.2063 42 H 5.4024 1.5791 -2.3197 H 1 UNL1 0.2033 43 H -5.8388 -2.5378 0.7526 H 1 UNL1 0.2027 44 H -4.0450 -3.2505 -0.8076 H 1 UNL1 0.1646 45 H -2.3547 0.3716 0.8299 H 1 UNL1 0.1675 46 H -1.7464 -4.1876 -1.0958 H 1 UNL1 0.1781 47 H -0.0690 -0.5607 0.5498 H 1 UNL1 0.1778 48 H -4.6397 3.0412 -0.4873 H 1 UNL1 0.2035 49 H -8.8888 3.5292 0.2618 H 1 UNL1 0.1931 50 H 6.5091 3.0620 -0.7581 H 1 UNL1 0.1635 51 H 7.4306 -0.7628 1.0276 H 1 UNL1 0.1690 52 H 1.6773 -0.4680 -2.9055 H 1 UNL1 0.3908 53 H 8.6229 4.0009 0.1508 H 1 UNL1 0.1686 54 H 9.5618 0.1836 1.9436 H 1 UNL1 0.1846 55 H 1.0469 -3.8959 1.5500 H 1 UNL1 0.3473 56 H -9.2764 0.0430 0.9429 H 1 UNL1 0.3901 57 H -7.3923 5.2447 -0.3329 H 1 UNL1 0.3359 58 H 10.5391 3.5189 1.4293 H 1 UNL1 0.3330 @BOND 1 6 18 2 2 52 4 1 3 42 23 1 4 4 13 1 5 18 23 ar 6 18 11 ar 7 23 15 ar 8 13 11 ar 9 13 14 ar 10 46 30 1 11 11 12 ar 12 44 28 1 13 50 36 1 14 30 28 ar 15 30 24 ar 16 28 16 ar 17 48 33 1 18 2 24 1 19 2 14 1 20 15 25 1 21 15 1 ar 22 9 57 1 23 9 34 1 24 24 31 ar 25 14 20 ar 26 33 34 ar 27 33 22 ar 28 36 25 ar 29 36 38 ar 30 34 35 ar 31 3 22 ar 32 3 17 ar 33 16 17 1 34 16 29 ar 35 22 21 ar 36 25 37 ar 37 53 38 1 38 12 1 ar 39 12 19 ar 40 17 26 ar 41 35 49 1 42 35 32 ar 43 31 29 ar 44 31 47 1 45 38 40 ar 46 21 32 ar 47 21 27 ar 48 29 45 1 49 32 7 1 50 26 27 ar 51 26 43 1 52 27 8 2 53 7 56 1 54 37 51 1 55 37 39 ar 56 20 19 ar 57 20 5 1 58 40 39 ar 59 40 10 1 60 19 41 1 61 39 54 1 62 58 10 1 63 55 5 1