REMARK  Name = BDB058551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.566  -1.073   3.380  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -0.652  -0.498   2.041  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1       -2.052  -0.421   1.579  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -2.221  -0.546   0.042  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -1.064   0.142  -0.698  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.308  -0.386  -0.229  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        0.204  -1.210   1.084  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.584  -0.061  -0.423  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -4.511  -0.976  -0.945  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.770  -0.550  -1.373  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.120   0.795  -1.285  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.212   1.715  -0.767  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.953   1.290  -0.338  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  14
ATOM     14  N   LIG    1        1.191   0.779  -0.021  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        0.995   1.114   0.928  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.553   0.624  -0.131  0.00  0.00    +0.199 A 
ATOM     17  N   LIG    1        3.131   0.483  -1.396  0.00  0.00    -0.283 N 
ATOM     18  C   LIG    1        2.345   0.620  -2.610  0.00  0.00    +0.155 C 
ATOM     19  C   LIG    1        4.500   0.241  -1.564  0.00  0.00    +0.269 A 
ATOM     20  O   LIG    1        5.016   0.043  -2.663  0.00  0.00    -0.266 OA
ATOM     21  C   LIG    1        5.212   0.246  -0.322  0.00  0.00    +0.102 A 
ATOM     22  C   LIG    1        4.594   0.444   0.876  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1        5.482   0.421   1.974  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        6.780   0.199   1.554  0.00  0.00    +0.048 A 
ATOM     25  S   LIG    1        6.884   0.022  -0.155  0.00  0.00    -0.090 S 
ATOM     26  N   LIG    1        3.218   0.635   0.996  0.00  0.00    -0.215 NA
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3