REMARK  Name = BDB001077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.397  -0.195  -2.749  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.506  -0.107  -1.912  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1        2.809   0.104  -0.488  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.761   0.197   0.425  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        2.047   0.399   1.782  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        3.375   0.504   2.209  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.419   0.410   1.290  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.377   0.075  -0.107  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.132  -0.111  -1.370  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1        4.139   0.209  -0.061  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        1.176  -0.197  -2.236  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1        0.940  -0.343  -3.212  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -0.782   0.174   0.881  0.00  0.00    +0.093 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.164   0.036   0.284  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -2.764  -1.226   0.165  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.039  -1.353  -0.388  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.723  -0.223  -0.833  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.131   1.034  -0.730  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.856   1.164  -0.176  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
TORSDOF 2