@MOLECULE 7-(4-biphenylyl)-4-oxo-4h-chromene-3-carbaldehyde 39 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.3959 -1.8665 -0.0056 O.2 1 UNL1 -0.2529 2 O 5.3996 1.6987 -0.0143 O.2 1 UNL1 -0.3893 3 O 7.6684 0.2107 0.0004 O.2 1 UNL1 -0.3671 4 C 0.5388 0.3369 -0.0023 C.ar 1 UNL1 0.0852 5 C -0.9252 0.2396 -0.0003 C.ar 1 UNL1 -0.0429 6 C 3.3436 0.5602 -0.0013 C.ar 1 UNL1 -0.2596 7 C 2.7032 -0.6740 -0.0127 C.ar 1 UNL1 0.2379 8 C 1.3180 -0.8205 -0.0305 C.ar 1 UNL1 -0.2591 9 C -3.7046 0.0512 0.0005 C.ar 1 UNL1 -0.0023 10 C 1.1642 1.5960 0.0271 C.ar 1 UNL1 -0.2248 11 C 2.5476 1.7104 0.0157 C.ar 1 UNL1 -0.0223 12 C -1.6964 1.2186 -0.6360 C.ar 1 UNL1 -0.1284 13 C -1.5564 -0.8327 0.6395 C.ar 1 UNL1 -0.1299 14 C -3.0838 1.1308 -0.6299 C.ar 1 UNL1 -0.1561 15 C -2.9431 -0.9327 0.6335 C.ar 1 UNL1 -0.1547 16 C -5.1673 -0.0515 0.0018 C.ar 1 UNL1 -0.0263 17 C 4.8221 0.6416 -0.0049 C.ar 1 UNL1 0.4927 18 C 5.4762 -0.6775 0.0054 C.ar 1 UNL1 -0.4150 19 C 4.7415 -1.8083 0.0091 C.ar 1 UNL1 0.1906 20 C -5.9019 0.5096 1.0447 C.ar 1 UNL1 -0.1531 21 C -5.8129 -0.7150 -1.0455 C.ar 1 UNL1 -0.1523 22 C -7.2894 0.4103 1.0423 C.ar 1 UNL1 -0.1398 23 C -7.2019 -0.8119 -1.0429 C.ar 1 UNL1 -0.1409 24 C -7.9388 -0.2516 -0.0023 C.ar 1 UNL1 -0.1494 25 C 6.9501 -0.7540 0.0091 C.2 1 UNL1 0.3495 26 H 0.8722 -1.8098 -0.0707 H 1 UNL1 0.1812 27 H 0.5532 2.4976 0.0681 H 1 UNL1 0.1696 28 H 3.0321 2.6931 0.0233 H 1 UNL1 0.1806 29 H -1.2092 2.0500 -1.1495 H 1 UNL1 0.1588 30 H -0.9657 -1.5889 1.1558 H 1 UNL1 0.1568 31 H -3.6870 1.8966 -1.1142 H 1 UNL1 0.1615 32 H -3.4335 -1.7751 1.1191 H 1 UNL1 0.1609 33 H 5.0996 -2.8419 0.0239 H 1 UNL1 0.1751 34 H -5.3893 1.0235 1.8537 H 1 UNL1 0.1574 35 H -5.2299 -1.1503 -1.8553 H 1 UNL1 0.1573 36 H -7.8689 0.8459 1.8535 H 1 UNL1 0.1511 37 H -7.7112 -1.3260 -1.8555 H 1 UNL1 0.1510 38 H -9.0237 -0.3278 -0.0023 H 1 UNL1 0.1491 39 H 7.3784 -1.7684 0.0197 H 1 UNL1 0.1000 @BOND 1 37 23 1 2 35 21 1 3 29 12 1 4 31 14 1 5 21 23 ar 6 21 16 ar 7 23 24 ar 8 12 14 ar 9 12 5 ar 10 14 9 ar 11 26 8 1 12 8 7 ar 13 8 4 ar 14 2 17 2 15 7 1 ar 16 7 6 ar 17 1 19 ar 18 17 6 ar 19 17 18 ar 20 38 24 1 21 4 5 1 22 4 10 ar 23 24 22 ar 24 6 11 ar 25 5 13 ar 26 3 25 2 27 9 16 1 28 9 15 ar 29 16 20 ar 30 18 19 ar 31 18 25 1 32 19 33 1 33 25 39 1 34 11 28 1 35 11 10 ar 36 10 27 1 37 15 13 ar 38 15 32 1 39 13 30 1 40 22 20 ar 41 22 36 1 42 20 34 1