REMARK  Name = BDB012391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.999  -1.193  -0.605  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.667  -1.508  -0.324  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        0.518  -2.839  -0.658  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        1.773  -3.253  -1.121  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        2.676  -2.277  -1.099  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.662   1.380  -0.633  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        4.023   0.146  -0.762  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.665   0.071  -0.458  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        1.962   1.156  -0.038  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        2.617   2.327   0.106  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        3.957   2.490  -0.175  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.824   2.289  -0.291  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.102   1.543  -0.930  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.521   0.833  -1.997  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.821   0.396  -2.517  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.169  -0.591   0.179  0.00  0.00    -0.468 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.548  -0.938   0.322  0.00  0.00    +0.206 C 
ATOM     18  C   LIG    1       -2.417   0.309   0.222  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -3.758   0.207   0.648  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1       -4.610   1.310   0.540  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -4.122   2.506   0.026  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -2.804   2.622  -0.397  0.00  0.00    +0.039 A 
ATOM     23  F   LIG    1       -4.941   3.562  -0.072  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.255  -1.122   1.150  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -3.241  -1.811   2.066  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -1.950   1.522  -0.305  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -1.769  -1.580   1.699  0.00  0.00    +0.050 C 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5