@MOLECULE asperxanthone 36 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.4284 1.8361 -0.4785 O.3 1 UNL1 -0.2589 2 O 3.3926 2.6386 0.4470 O.2 1 UNL1 -0.3317 3 O -1.6143 -1.8682 0.1755 O.2 1 UNL1 -0.2688 4 O 3.0821 -2.4557 -0.2285 O.3 1 UNL1 -0.2858 5 O -1.3054 2.2062 -0.2545 O.2 1 UNL1 -0.5033 6 O -3.9355 2.3473 -0.1234 O.3 1 UNL1 -0.4626 7 C 3.4312 0.4417 -0.5309 C.3 1 UNL1 -0.1017 8 C 2.8672 1.9080 -0.6534 C.3 1 UNL1 0.2488 9 C 2.1790 -0.3426 -0.3442 C.ar 1 UNL1 -0.3389 10 C 1.0860 0.5434 -0.3021 C.ar 1 UNL1 0.3903 11 C -0.2312 0.1087 -0.1388 C.ar 1 UNL1 -0.4142 12 C 4.2452 0.5403 0.7319 C.2 1 UNL1 -0.3031 13 C 1.9622 -1.7084 -0.1859 C.ar 1 UNL1 0.3802 14 C -0.3932 -1.2824 0.0091 C.ar 1 UNL1 0.3827 15 C 4.1430 1.7818 1.2280 C.2 1 UNL1 0.0943 16 C 0.6581 -2.1970 -0.0045 C.ar 1 UNL1 -0.4585 17 C -1.3818 0.9945 -0.1335 C.ar 1 UNL1 0.5632 18 C -2.6676 0.3171 0.0156 C.ar 1 UNL1 -0.4356 19 C -2.7303 -1.0717 0.1611 C.ar 1 UNL1 0.3374 20 C -3.8891 1.0209 0.0121 C.ar 1 UNL1 0.4260 21 C -3.9282 -1.7662 0.2998 C.ar 1 UNL1 -0.3413 22 C -5.1162 0.3484 0.1477 C.ar 1 UNL1 -0.3365 23 C 2.9344 -3.8637 -0.0696 C.3 1 UNL1 -0.2055 24 C -5.1182 -1.0315 0.2897 C.ar 1 UNL1 0.0159 25 H 4.0285 0.1126 -1.4020 H 1 UNL1 0.1693 26 H 3.0265 2.5083 -1.5567 H 1 UNL1 0.1607 27 H 4.7678 -0.3078 1.1200 H 1 UNL1 0.1763 28 H 0.4515 -3.2531 0.1213 H 1 UNL1 0.1929 29 H 4.5289 2.2835 2.0933 H 1 UNL1 0.1706 30 H -3.9333 -2.8449 0.4107 H 1 UNL1 0.1779 31 H -6.0395 0.9210 0.1379 H 1 UNL1 0.1830 32 H 2.5118 -4.1034 0.9114 H 1 UNL1 0.1423 33 H 2.3338 -4.2859 -0.8817 H 1 UNL1 0.1414 34 H 3.9745 -4.2114 -0.1370 H 1 UNL1 0.1551 35 H -6.0676 -1.5614 0.3961 H 1 UNL1 0.1511 36 H -2.9877 2.7329 -0.2141 H 1 UNL1 0.3870 @BOND 1 26 8 1 2 25 7 1 3 33 23 1 4 8 7 1 5 8 1 1 6 8 2 1 7 7 9 1 8 7 12 1 9 1 10 1 10 9 10 ar 11 9 13 ar 12 10 11 ar 13 5 17 2 14 4 13 1 15 4 23 1 16 36 6 1 17 13 16 ar 18 11 17 ar 19 11 14 ar 20 34 23 1 21 17 18 ar 22 6 20 1 23 23 32 1 24 16 14 ar 25 16 28 1 26 14 3 ar 27 20 18 ar 28 20 22 ar 29 18 19 ar 30 31 22 1 31 22 24 ar 32 19 3 ar 33 19 21 ar 34 24 21 ar 35 24 35 1 36 21 30 1 37 2 15 1 38 12 27 1 39 12 15 2 40 15 29 1