REMARK  Name = BDB017385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.773   0.298  -1.413  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -1.514   0.733  -0.634  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -1.401   0.539   0.579  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.529   1.333  -1.372  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -0.610   1.628  -2.779  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        0.806   2.052  -3.169  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.363   2.632  -1.865  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -1.484   2.727  -3.002  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1       -2.702   2.748  -2.266  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        0.750   1.720  -0.803  0.00  0.00    +0.164 C 
ATOM     11  C   LIG    1       -3.457   1.424  -2.208  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.723  -1.132  -0.852  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -3.688  -0.318  -0.454  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -3.389  -0.317   0.517  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -4.995  -1.329  -2.036  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -5.487  -1.810   0.308  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -4.881  -3.198   0.514  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -7.755  -2.499   0.945  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -6.923  -1.807  -0.023  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -7.041  -2.213  -0.955  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        1.649   0.484  -0.585  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1        2.693   0.703   0.289  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        2.650   1.502   0.907  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        1.493  -0.574  -1.192  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.595  -0.372   0.680  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        4.916   0.198   1.177  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        5.548  -0.305   2.331  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.768   0.249   2.751  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.381   1.263   2.017  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.782   1.736   0.854  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.929  -1.403   3.159  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1        3.891  -2.209   2.385  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        5.563   1.204   0.434  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1        2.898  -1.271   1.716  0.00  0.00    +0.027 C 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5