@MOLECULE tanshinon i 33 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3424 -2.2130 -0.0010 O.2 1 UNL111111111111 -0.1376 2 O -0.1725 2.6961 -0.0156 O.2 1 UNL111111111111 -0.3520 3 O -2.8255 2.3818 0.0058 O.2 1 UNL111111111111 -0.3457 4 C 0.3036 0.3665 -0.0023 C.ar 1 UNL111111111111 -0.1375 5 C -0.2598 -0.9045 -0.0028 C.ar 1 UNL111111111111 0.0127 6 C 1.7266 0.4915 0.0006 C.ar 1 UNL111111111111 0.0538 7 C -1.6929 -1.0106 -0.0020 C.ar 1 UNL111111111111 0.1428 8 C -2.5932 0.0366 -0.0001 C.ar 1 UNL111111111111 -0.2722 9 C 2.5250 -0.6848 -0.0002 C.ar 1 UNL111111111111 -0.0446 10 C -0.5826 1.5654 -0.0055 C.2 1 UNL111111111111 0.3491 11 C 0.5341 -2.0719 -0.0031 C.ar 1 UNL111111111111 -0.1677 12 C -3.9068 -0.5505 0.0025 C.ar 1 UNL111111111111 0.0363 13 C -2.1281 1.4032 0.0006 C.2 1 UNL111111111111 0.3849 14 C 1.8993 -1.9589 -0.0023 C.ar 1 UNL111111111111 -0.1007 15 C 3.9518 -0.5775 0.0015 C.ar 1 UNL111111111111 0.0353 16 C 2.3921 1.7504 0.0051 C.ar 1 UNL111111111111 -0.1698 17 C -3.7028 -1.9079 0.0020 C.ar 1 UNL111111111111 -0.0903 18 C 4.5495 0.6585 0.0049 C.ar 1 UNL111111111111 -0.1864 19 C 3.7592 1.8305 0.0071 C.ar 1 UNL111111111111 -0.1234 20 C -5.1743 0.1916 0.0057 C.3 1 UNL111111111111 -0.4329 21 C 4.8005 -1.8048 -0.0004 C.3 1 UNL111111111111 -0.4575 22 H 0.0477 -3.0477 -0.0038 H 1 UNL111111111111 0.1700 23 H 2.5173 -2.8578 -0.0032 H 1 UNL111111111111 0.1585 24 H 1.8098 2.6766 0.0073 H 1 UNL111111111111 0.1964 25 H -4.3196 -2.7725 0.0031 H 1 UNL111111111111 0.1764 26 H 5.6334 0.7574 0.0063 H 1 UNL111111111111 0.1568 27 H 4.2579 2.8002 0.0106 H 1 UNL111111111111 0.1560 28 H -5.2483 0.8611 -0.8702 H 1 UNL111111111111 0.1766 29 H -6.0571 -0.4606 0.0003 H 1 UNL111111111111 0.1525 30 H -5.2505 0.8494 0.8903 H 1 UNL111111111111 0.1764 31 H 4.6147 -2.4240 -0.8909 H 1 UNL111111111111 0.1623 32 H 5.8754 -1.5735 0.0004 H 1 UNL111111111111 0.1592 33 H 4.6141 -2.4267 0.8879 H 1 UNL111111111111 0.1622 @BOND 1 1 7 ar 2 1 17 ar 3 2 10 2 4 3 13 2 5 4 5 ar 6 4 6 ar 7 4 10 1 8 5 7 1 9 5 11 ar 10 6 9 ar 11 6 16 ar 12 7 8 ar 13 8 12 ar 14 8 13 1 15 9 14 ar 16 9 15 ar 17 10 13 1 18 11 14 ar 19 11 22 1 20 12 17 ar 21 12 20 1 22 14 23 1 23 15 18 ar 24 15 21 1 25 16 19 ar 26 16 24 1 27 17 25 1 28 18 19 ar 29 18 26 1 30 19 27 1 31 20 28 1 32 20 29 1 33 20 30 1 34 21 31 1 35 21 32 1 36 21 33 1