@MOLECULE 2-(4-chlorophenyl)-4h-chromen-4-one 27 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.9572 1.6429 0.0109 C.ar 1 UNL1 -0.4246 2 C -2.4195 1.7004 0.0064 C.ar 1 UNL1 0.5003 3 O -3.0403 2.7391 0.0070 O.2 1 UNL1 -0.4505 4 C -3.0777 0.3833 0.0013 C.ar 1 UNL1 -0.2618 5 C -4.4700 0.2501 0.0051 C.ar 1 UNL1 -0.0236 6 C -5.0442 -1.0147 0.0015 C.ar 1 UNL1 -0.2237 7 C -4.2368 -2.1596 -0.0064 C.ar 1 UNL1 -0.0563 8 C -2.8522 -2.0551 -0.0109 C.ar 1 UNL1 -0.2513 9 C -2.2968 -0.7707 -0.0068 C.ar 1 UNL1 0.2585 10 O -0.9273 -0.7472 -0.0118 O.2 1 UNL1 -0.2842 11 C -0.2957 0.4704 0.0008 C.ar 1 UNL1 0.2916 12 C 1.1536 0.2537 0.0004 C.ar 1 UNL1 -0.0824 13 C 1.6734 -1.0476 0.0197 C.ar 1 UNL1 -0.0765 14 C 3.0502 -1.2541 0.0193 C.ar 1 UNL1 -0.1900 15 C 3.8847 -0.1436 0.0003 C.ar 1 UNL1 0.0534 16 CL 5.5759 -0.3888 0.0011 Cl 1 UNL1 -0.0745 17 C 3.4001 1.1579 -0.0193 C.ar 1 UNL1 -0.1868 18 C 2.0215 1.3525 -0.0198 C.ar 1 UNL1 -0.0850 19 H -0.4516 2.6065 0.0228 H 1 UNL1 0.2004 20 H -5.0893 1.1526 0.0111 H 1 UNL1 0.1763 21 H -6.1273 -1.1210 0.0049 H 1 UNL1 0.1626 22 H -4.7035 -3.1459 -0.0090 H 1 UNL1 0.1538 23 H -2.2118 -2.9326 -0.0172 H 1 UNL1 0.1754 24 H 1.0035 -1.9113 0.0353 H 1 UNL1 0.1740 25 H 3.4560 -2.2661 0.0336 H 1 UNL1 0.1776 26 H 4.0769 2.0128 -0.0342 H 1 UNL1 0.1777 27 H 1.6251 2.3702 -0.0365 H 1 UNL1 0.1693 @BOND 1 27 18 1 2 26 17 1 3 18 17 ar 4 18 12 ar 5 17 15 ar 6 23 8 1 7 10 9 ar 8 10 11 ar 9 8 9 ar 10 8 7 ar 11 22 7 1 12 9 4 ar 13 7 6 ar 14 15 16 1 15 15 14 ar 16 12 11 1 17 12 13 ar 18 11 1 ar 19 4 5 ar 20 4 2 ar 21 6 21 1 22 6 5 ar 23 5 20 1 24 2 3 2 25 2 1 ar 26 1 19 1 27 14 13 ar 28 14 25 1 29 13 24 1