@MOLECULE biochanin a 33 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.5993 -2.0305 -0.3115 O.2 1 UNL1 -0.2470 2 O 2.6008 2.6283 0.3446 O.3 1 UNL1 -0.4563 3 O 0.1291 1.7441 0.1818 O.2 1 UNL1 -0.5263 4 O -5.8628 -0.1426 0.2377 O.3 1 UNL1 -0.3186 5 O 6.0136 -0.6128 -0.0802 O.3 1 UNL1 -0.4500 6 C 1.9864 0.3315 0.0294 C.ar 1 UNL1 -0.4915 7 C -0.3034 -0.5752 -0.0744 C.ar 1 UNL1 -0.2315 8 C 2.4562 -0.9773 -0.1534 C.ar 1 UNL1 0.3718 9 C 0.5607 0.6070 0.0608 C.ar 1 UNL1 0.5435 10 C -1.7512 -0.4157 -0.0034 C.ar 1 UNL1 -0.0652 11 C 2.9541 1.3562 0.1747 C.ar 1 UNL1 0.4796 12 C 0.2623 -1.7844 -0.2607 C.ar 1 UNL1 0.1236 13 C 3.8037 -1.3068 -0.1925 C.ar 1 UNL1 -0.4267 14 C -2.5183 -1.3147 0.7533 C.ar 1 UNL1 -0.0889 15 C -2.3818 0.6302 -0.6826 C.ar 1 UNL1 -0.0421 16 C 4.3247 1.0763 0.1450 C.ar 1 UNL1 -0.4929 17 C 4.7159 -0.2514 -0.0379 C.ar 1 UNL1 0.4347 18 C -3.8965 -1.1897 0.8118 C.ar 1 UNL1 -0.2565 19 C -3.7666 0.7738 -0.6370 C.ar 1 UNL1 -0.3039 20 C -4.5106 -0.1417 0.1059 C.ar 1 UNL1 0.2595 21 C -6.5808 0.8977 -0.4121 C.3 1 UNL1 -0.2020 22 H -0.2346 -2.7429 -0.4005 H 1 UNL1 0.1825 23 H 4.1472 -2.3259 -0.3351 H 1 UNL1 0.2036 24 H -2.0274 -2.1114 1.3114 H 1 UNL1 0.1510 25 H -1.7837 1.3485 -1.2488 H 1 UNL1 0.1690 26 H 5.0411 1.8809 0.2613 H 1 UNL1 0.1945 27 H -4.5058 -1.8772 1.3920 H 1 UNL1 0.1715 28 H -4.2398 1.5912 -1.1695 H 1 UNL1 0.1646 29 H 1.5764 2.7246 0.3472 H 1 UNL1 0.3890 30 H 6.6283 0.1583 0.0334 H 1 UNL1 0.3369 31 H -6.4452 0.8479 -1.4968 H 1 UNL1 0.1342 32 H -6.2941 1.8767 -0.0150 H 1 UNL1 0.1374 33 H -7.6203 0.6641 -0.1445 H 1 UNL1 0.1525 @BOND 1 31 21 1 2 25 15 1 3 28 19 1 4 15 19 ar 5 15 10 ar 6 19 20 ar 7 21 33 1 8 21 32 1 9 21 4 1 10 22 12 1 11 23 13 1 12 1 12 ar 13 1 8 ar 14 12 7 ar 15 13 8 ar 16 13 17 ar 17 8 6 ar 18 5 17 1 19 5 30 1 20 7 10 1 21 7 9 ar 22 17 16 ar 23 10 14 ar 24 6 9 ar 25 6 11 ar 26 9 3 2 27 20 4 1 28 20 18 ar 29 16 11 ar 30 16 26 1 31 11 2 1 32 2 29 1 33 14 18 ar 34 14 24 1 35 18 27 1