@MOLECULE mallotochromene 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0323 -0.1170 0.6889 O.3 1 UNL11 -0.3708 2 O -0.3479 2.5500 -0.5150 O.3 1 UNL11 -0.4870 3 O -0.7239 -1.8490 -2.1852 O.3 1 UNL11 -0.4591 4 O 2.2917 2.6730 -1.0361 O.3 1 UNL11 -0.3989 5 O 1.7127 -1.9840 -0.8472 O.3 1 UNL11 -0.4204 6 O 4.9626 0.0631 1.9284 O.3 1 UNL11 -0.4676 7 O -2.7159 -3.2312 -1.4778 O.2 1 UNL11 -0.5668 8 O 3.1099 -3.3295 0.7916 O.2 1 UNL11 -0.5461 9 C -4.6994 0.9816 1.3749 C.3 1 UNL11 0.3447 10 C -2.8780 0.0587 0.0453 C.ar 1 UNL11 0.4462 11 C -2.1729 1.2680 0.0930 C.ar 1 UNL11 -0.3762 12 C -0.4231 0.2819 -1.3214 C.ar 1 UNL11 -0.3568 13 C 0.9073 0.3493 -1.9969 C.3 1 UNL11 -0.1799 14 C -0.9437 1.3546 -0.5953 C.ar 1 UNL11 0.4519 15 C -2.4150 -1.0599 -0.6827 C.ar 1 UNL11 -0.5179 16 C -3.8930 2.2302 1.4806 C.2 1 UNL11 -0.3321 17 C -1.1919 -0.8962 -1.3906 C.ar 1 UNL11 0.4941 18 C -2.7094 2.3596 0.8653 C.2 1 UNL11 -0.0076 19 C 2.0143 0.3083 -0.9898 C.ar 1 UNL11 -0.2516 20 C -4.9964 0.3799 2.7503 C.3 1 UNL11 -0.4859 21 C -5.9653 1.2081 0.5439 C.3 1 UNL11 -0.4903 22 C 2.6936 1.4382 -0.5646 C.ar 1 UNL11 0.3074 23 C 2.3712 -0.9262 -0.3958 C.ar 1 UNL11 0.4286 24 C 3.6975 1.4178 0.4146 C.ar 1 UNL11 -0.2823 25 C -3.1134 -2.3324 -0.7391 C.2 1 UNL11 0.5841 26 C 3.3705 -1.0192 0.6033 C.ar 1 UNL11 -0.4557 27 C 4.0081 0.1784 0.9786 C.ar 1 UNL11 0.3894 28 C 4.3771 2.6645 0.8529 C.3 1 UNL11 -0.4138 29 C -4.3204 -2.5944 0.1025 C.3 1 UNL11 -0.5265 30 C 3.6825 -2.3222 1.1907 C.2 1 UNL11 0.5769 31 C 4.6928 -2.4575 2.2809 C.3 1 UNL11 -0.5231 32 C 2.9168 3.0374 -2.2653 C.3 1 UNL11 -0.1748 33 H 1.0224 -0.5088 -2.7085 H 1 UNL11 0.1878 34 H 0.9681 1.2512 -2.6411 H 1 UNL11 0.1372 35 H -4.3353 3.0176 2.0779 H 1 UNL11 0.1592 36 H -2.1121 3.2719 0.9264 H 1 UNL11 0.1632 37 H -5.5027 -0.5886 2.6632 H 1 UNL11 0.1586 38 H -4.0681 0.2152 3.3130 H 1 UNL11 0.1656 39 H -5.6348 1.0430 3.3421 H 1 UNL11 0.1548 40 H -5.7127 1.5884 -0.4548 H 1 UNL11 0.1659 41 H -6.5281 0.2780 0.4071 H 1 UNL11 0.1573 42 H -6.6265 1.9377 1.0212 H 1 UNL11 0.1550 43 H 0.5928 2.5692 -0.8438 H 1 UNL11 0.3687 44 H -1.3369 -2.6891 -2.1621 H 1 UNL11 0.3924 45 H 4.3115 2.8105 1.9416 H 1 UNL11 0.1484 46 H 5.4357 2.6838 0.5581 H 1 UNL11 0.1455 47 H 3.9104 3.5612 0.4099 H 1 UNL11 0.1734 48 H -5.1570 -1.9391 -0.1854 H 1 UNL11 0.1817 49 H -4.1183 -2.4078 1.1681 H 1 UNL11 0.1821 50 H -4.6624 -3.6352 0.0001 H 1 UNL11 0.1757 51 H 2.0191 -2.8486 -0.3680 H 1 UNL11 0.3843 52 H 5.3714 0.9354 2.1687 H 1 UNL11 0.3378 53 H 4.7762 -3.5003 2.6240 H 1 UNL11 0.1770 54 H 4.4321 -1.8376 3.1531 H 1 UNL11 0.1853 55 H 5.6918 -2.1361 1.9473 H 1 UNL11 0.1839 56 H 2.7157 2.2983 -3.0483 H 1 UNL11 0.1401 57 H 3.9946 3.1553 -2.1106 H 1 UNL11 0.1355 58 H 2.4468 4.0012 -2.4990 H 1 UNL11 0.1514 @BOND 1 1 9 1 2 1 10 1 3 2 14 1 4 2 43 1 5 3 17 1 6 3 44 1 7 4 22 1 8 4 32 1 9 5 23 1 10 5 51 1 11 6 27 1 12 6 52 1 13 7 25 2 14 8 30 2 15 9 16 1 16 9 20 1 17 9 21 1 18 10 11 ar 19 10 15 ar 20 11 14 ar 21 11 18 1 22 12 13 1 23 12 14 ar 24 12 17 ar 25 13 19 1 26 13 33 1 27 13 34 1 28 15 17 ar 29 15 25 1 30 16 18 2 31 16 35 1 32 18 36 1 33 19 22 ar 34 19 23 ar 35 20 37 1 36 20 38 1 37 20 39 1 38 21 40 1 39 21 41 1 40 21 42 1 41 22 24 ar 42 23 26 ar 43 24 27 ar 44 24 28 1 45 25 29 1 46 26 27 ar 47 26 30 1 48 28 45 1 49 28 46 1 50 28 47 1 51 29 48 1 52 29 49 1 53 29 50 1 54 30 31 1 55 31 53 1 56 31 54 1 57 31 55 1 58 32 56 1 59 32 57 1 60 32 58 1