@<TRIPOS>MOLECULE
ace-4
 38 40 0 0 0
SMALL
GASTEIGER
Energy = 0

@<TRIPOS>ATOM
      1 N1          0.0000    0.0000    0.0000 N.am    1  UNK        -0.2683
      2 C1          0.0000    0.0000    0.0000 C.3     1  UNK         0.1748
      3 C2          0.0000    0.0000    0.0000 C.3     1  UNK         0.0330
      4 C3          0.0000    0.0000    0.0000 C.3     1  UNK         0.0205
      5 C4          0.0000    0.0000    0.0000 C.3     1  UNK         0.0760
      6 C5          0.0000    0.0000    0.0000 C.3     1  UNK         0.0198
      7 C6          0.0000    0.0000    0.0000 C.3     1  UNK         0.0018
      8 C7          0.0000    0.0000    0.0000 C.3     1  UNK         0.0018
      9 C8          0.0000    0.0000    0.0000 C.2     1  UNK         0.3352
     10 O1          0.0000    0.0000    0.0000 O.3     1  UNK        -0.4474
     11 C9          0.0000    0.0000    0.0000 C.3     1  UNK         0.2085
     12 C10         0.0000    0.0000    0.0000 C.3     1  UNK         0.0474
     13 C11         0.0000    0.0000    0.0000 C.3     1  UNK         0.0038
     14 C12         0.0000    0.0000    0.0000 C.3     1  UNK         0.0001
     15 C13         0.0000    0.0000    0.0000 C.3     1  UNK         0.0000
     16 C14         0.0000    0.0000    0.0000 C.3     1  UNK         0.0000
     17 C15         0.0000    0.0000    0.0000 C.3     1  UNK         0.0000
     18 C16         0.0000    0.0000    0.0000 C.3     1  UNK         0.0000
     19 O2          0.0000    0.0000    0.0000 O.2     1  UNK        -0.2483
     20 C17         0.0000    0.0000    0.0000 C.2     1  UNK         0.2830
     21 C18         0.0000    0.0000    0.0000 C.3     1  UNK         0.2213
     22 N2          0.0000    0.0000    0.0000 N.4     1  UNK         0.4545
     23 C19         0.0000    0.0000    0.0000 C.3     1  UNK         0.2437
     24 C20         0.0000    0.0000    0.0000 C.3     1  UNK         0.0792
     25 C21         0.0000    0.0000    0.0000 C.3     1  UNK         0.0331
     26 C22         0.0000    0.0000    0.0000 C.ar    1  UNK        -0.0220
     27 C23         0.0000    0.0000    0.0000 C.ar    1  UNK        -0.0043
     28 C24         0.0000    0.0000    0.0000 C.ar    1  UNK        -0.0003
     29 C25         0.0000    0.0000    0.0000 C.ar    1  UNK        -0.0000
     30 C26         0.0000    0.0000    0.0000 C.ar    1  UNK        -0.0003
     31 C27         0.0000    0.0000    0.0000 C.ar    1  UNK        -0.0043
     32 C28         0.0000    0.0000    0.0000 C.2     1  UNK         0.3748
     33 O3          0.0000    0.0000    0.0000 O.3     1  UNK        -0.4445
     34 C29         0.0000    0.0000    0.0000 C.3     1  UNK         0.2088
     35 C30         0.0000    0.0000    0.0000 C.3     1  UNK         0.0513
     36 O4          0.0000    0.0000    0.0000 O.2     1  UNK        -0.2435
     37 C31         0.0000    0.0000    0.0000 C.3     1  UNK         0.0791
     38 O5          0.0000    0.0000    0.0000 O.2     1  UNK        -0.2685
@<TRIPOS>BOND
     1     1     2    1
     2     2     3    1
     3     3     4    1
     4     4     5    1
     5     1     5    1
     6     5     6    1
     7     6     7    1
     8     7     8    1
     9     4     8    1
    10     2     9    1
    11     9    10    1
    12    10    11    1
    13    11    12    1
    14    12    13    1
    15    13    14    1
    16    14    15    1
    17    15    16    1
    18    16    17    1
    19    17    18    1
    20     9    19    2
    21     1    20   am
    22    20    21    1
    23    21    22    1
    24    22    23    1
    25    23    24    1
    26    24    25    1
    27    25    26    1
    28    26    27   ar
    29    27    28   ar
    30    28    29   ar
    31    29    30   ar
    32    30    31   ar
    33    26    31   ar
    34    23    32    1
    35    32    33    1
    36    33    34    1
    37    34    35    1
    38    32    36    2
    39    21    37    1
    40    20    38    2