@MOLECULE 10,19-dimethoxy-BLAHe-12,16-dione 39 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3264 2.6458 -0.0213 O.3 1 UNL1 -0.3104 2 O 2.6654 2.8666 -0.0197 O.3 1 UNL1 -0.3401 3 O 4.5343 0.4721 0.0073 O.3 1 UNL1 -0.2924 4 O -1.2507 -3.6437 -0.0178 O.2 1 UNL1 -0.4249 5 O -4.0998 2.1050 0.0427 O.2 1 UNL1 -0.3067 6 O -5.2101 -0.5900 -0.0150 O.2 1 UNL1 -0.4702 7 N 1.4179 -3.3691 -0.0036 N.ar 1 UNL1 -0.3044 8 C 1.1483 -0.9707 0.0033 C.ar 1 UNL1 -0.1125 9 C 0.2443 0.1633 0.0049 C.ar 1 UNL1 0.0948 10 C -1.1335 -0.0001 0.0118 C.ar 1 UNL1 -0.1335 11 C 2.5912 -0.8161 0.0060 C.ar 1 UNL1 -0.0423 12 C 0.6306 -2.2558 -0.0017 C.ar 1 UNL1 0.0918 13 C 0.9274 1.4045 -0.0043 C.ar 1 UNL1 0.0585 14 C -1.7229 -1.3134 0.0009 C.ar 1 UNL1 -0.0590 15 C 2.3023 1.5438 -0.0044 C.ar 1 UNL1 0.0997 16 C 3.1751 0.4390 0.0047 C.ar 1 UNL1 0.1001 17 C -0.8547 -2.5008 -0.0069 C.ar 1 UNL1 0.4454 18 C 3.3859 -2.0136 0.0076 C.ar 1 UNL1 -0.1497 19 C -2.0445 1.1109 0.0265 C.2 1 UNL1 -0.1574 20 C -3.0631 -1.5164 -0.0054 C.2 1 UNL1 -0.2012 21 C 2.8054 -3.2430 0.0016 C.ar 1 UNL1 -0.0217 22 C 1.4110 3.5935 -0.0349 C.3 1 UNL1 0.1510 23 C -3.3934 0.9413 0.0200 C.2 1 UNL1 0.0456 24 C -4.0118 -0.3913 -0.0013 C.2 1 UNL1 0.4223 25 C 5.1160 1.7717 0.0237 C.3 1 UNL1 -0.1977 26 C -5.5179 2.0176 -0.0125 C.3 1 UNL1 -0.1931 27 H 4.4731 -1.9050 0.0132 H 1 UNL1 0.1851 28 H 0.9817 -4.2896 -0.0085 H 1 UNL1 0.3341 29 H -1.6478 2.1284 0.0457 H 1 UNL1 0.1850 30 H -3.5062 -2.5148 -0.0143 H 1 UNL1 0.1896 31 H 3.3698 -4.1778 0.0003 H 1 UNL1 0.1720 32 H 1.3618 4.1550 -0.9782 H 1 UNL1 0.1414 33 H 1.3578 4.1864 0.8884 H 1 UNL1 0.1415 34 H 4.8459 2.3309 -0.8784 H 1 UNL1 0.1432 35 H 4.8265 2.3175 0.9279 H 1 UNL1 0.1429 36 H 6.1897 1.5448 0.0330 H 1 UNL1 0.1475 37 H -5.8093 3.0746 -0.0072 H 1 UNL1 0.1375 38 H -5.9131 1.4969 0.8658 H 1 UNL1 0.1447 39 H -5.8489 1.5236 -0.9316 H 1 UNL1 0.1434 @BOND 1 32 22 1 2 39 26 1 3 34 25 1 4 22 1 1 5 22 2 1 6 22 33 1 7 1 13 1 8 2 15 1 9 4 17 2 10 6 24 2 11 30 20 1 12 26 37 1 13 26 5 1 14 26 38 1 15 28 7 1 16 17 12 ar 17 17 14 ar 18 20 24 1 19 20 14 2 20 15 13 ar 21 15 16 ar 22 13 9 ar 23 7 12 ar 24 7 21 ar 25 12 8 ar 26 24 23 1 27 31 21 1 28 14 10 ar 29 21 18 ar 30 8 9 ar 31 8 11 ar 32 16 11 ar 33 16 3 1 34 9 10 ar 35 11 18 ar 36 3 25 1 37 18 27 1 38 10 19 1 39 23 19 2 40 23 5 1 41 25 36 1 42 25 35 1 43 19 29 1