@MOLECULE (7-anilino-4-methyl-2-oxo-2h-chromen-3-yl)acetic acid 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.6075 1.3303 -0.0987 O.2 1 UNL1 -0.3612 2 O 2.2661 2.7287 -0.1937 O.2 1 UNL1 -0.4294 3 O 6.1988 0.9683 0.7568 O.3 1 UNL1 -0.5674 4 O 4.8445 -0.7105 1.2993 O.2 1 UNL1 -0.5174 5 N -3.2361 -1.4549 0.1060 N.pl3 1 UNL1 -0.5126 6 C 0.9317 -1.0459 -0.3587 C.ar 1 UNL1 -0.3027 7 C 2.3460 -0.8436 -0.5416 C.ar 1 UNL1 0.2442 8 C 2.8493 0.4212 -0.4676 C.ar 1 UNL1 -0.2989 9 C 0.1137 0.0789 -0.1449 C.ar 1 UNL1 0.3750 10 C 0.2994 -2.3053 -0.3531 C.ar 1 UNL1 0.0244 11 C -1.8708 -1.2647 -0.0165 C.ar 1 UNL1 0.3438 12 C -1.2695 -0.0039 0.0319 C.ar 1 UNL1 -0.4030 13 C 4.2958 0.7565 -0.5871 C.3 1 UNL1 -0.3066 14 C 1.9831 1.5628 -0.2504 C.ar 1 UNL1 0.6038 15 C -1.0613 -2.4268 -0.1874 C.ar 1 UNL1 -0.3481 16 C 3.2197 -2.0199 -0.7884 C.3 1 UNL1 -0.4741 17 C -4.1912 -0.4081 0.1268 C.ar 1 UNL1 0.2003 18 C 5.0709 0.2285 0.5835 C.2 1 UNL1 0.6571 19 C -5.2496 -0.4934 1.0445 C.ar 1 UNL1 -0.2348 20 C -4.1255 0.6513 -0.7878 C.ar 1 UNL1 -0.2145 21 C -6.2264 0.4968 1.0499 C.ar 1 UNL1 -0.0987 22 C -5.1078 1.6361 -0.7609 C.ar 1 UNL1 -0.0959 23 C -6.1565 1.5634 0.1548 C.ar 1 UNL1 -0.1859 24 H 0.9051 -3.2058 -0.4827 H 1 UNL1 0.1515 25 H -1.8364 0.9038 0.2271 H 1 UNL1 0.2018 26 H 4.4518 1.8659 -0.6707 H 1 UNL1 0.2119 27 H 4.7325 0.3532 -1.5306 H 1 UNL1 0.1824 28 H -1.5275 -3.4064 -0.1956 H 1 UNL1 0.1633 29 H 4.1326 -1.7703 -1.3476 H 1 UNL1 0.1646 30 H 2.7206 -2.8245 -1.3430 H 1 UNL1 0.1599 31 H 3.5617 -2.4402 0.1801 H 1 UNL1 0.2002 32 H -3.5761 -2.3850 0.3177 H 1 UNL1 0.3170 33 H -5.3015 -1.3162 1.7525 H 1 UNL1 0.1590 34 H -3.3205 0.6977 -1.5209 H 1 UNL1 0.1754 35 H -7.0486 0.4399 1.7627 H 1 UNL1 0.1510 36 H -5.0567 2.4676 -1.4642 H 1 UNL1 0.1550 37 H -6.9201 2.3376 0.1703 H 1 UNL1 0.1543 38 H 6.7503 0.6815 1.5244 H 1 UNL1 0.3552 @BOND 1 27 13 1 2 34 20 1 3 36 22 1 4 29 16 1 5 30 16 1 6 16 7 1 7 16 31 1 8 20 22 ar 9 20 17 ar 10 22 23 ar 11 26 13 1 12 13 8 1 13 13 18 1 14 7 8 ar 15 7 6 ar 16 24 10 1 17 8 14 ar 18 6 10 ar 19 6 9 ar 20 10 15 ar 21 14 2 2 22 14 1 ar 23 28 15 1 24 15 11 ar 25 9 1 ar 26 9 12 ar 27 11 12 ar 28 11 5 1 29 12 25 1 30 5 17 1 31 5 32 1 32 17 19 ar 33 23 37 1 34 23 21 ar 35 18 3 1 36 18 4 2 37 3 38 1 38 19 21 ar 39 19 33 1 40 21 35 1