REMARK  Name = BDB012658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.279   0.112   0.427  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        1.046   0.434   1.367  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.428   0.217   0.088  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.927   0.181   0.035  0.00  0.00    -0.048 A 
ATOM      5  C   LIG    1       -3.278  -0.243  -1.135  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -1.876  -0.290  -1.128  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -1.115   0.051  -0.015  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        0.247  -0.131  -0.418  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        0.319  -0.553  -1.682  0.00  0.00    -0.155 NA
ATOM     10  C   LIG    1       -1.779   0.461   1.159  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -0.959  -0.642  -2.084  0.00  0.00    -0.265 N 
ATOM     12  C   LIG    1       -1.250  -1.080  -3.428  0.00  0.00    +0.173 C 
ATOM     13  C   LIG    1       -3.179   0.515   1.170  0.00  0.00    +0.004 A 
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1        2.679   0.009   0.267  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        3.573   0.325   1.312  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        4.960   0.211   1.122  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        5.429  -0.214  -0.102  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        4.622  -0.527  -1.129  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        3.283  -0.409  -0.922  0.00  0.00    +0.134 A 
BRANCH  15  20
ATOM     20  C   LIG    1        3.159   0.790   2.663  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1        3.914   1.068   3.577  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        1.826   0.896   2.837  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        1.758   1.209   3.767  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  14
TORSDOF 4