REMARK  Name = BDB008626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.534  -0.847   0.646  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.236  -2.000  -0.029  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -0.141  -2.186   0.044  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.665  -3.319  -0.600  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.227  -4.165  -1.260  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.589  -3.867  -1.260  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        2.540  -4.783  -1.976  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.689  -1.095   0.802  0.00  0.00    -0.001 A 
ATOM      9  N   LIG    1        2.133  -2.788  -0.652  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1        0.388  -0.296   1.161  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.157  -0.894   1.117  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -2.546  -1.670   2.381  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.494   0.552   1.134  0.00  0.00    -0.291 N 
ATOM     14  C   LIG    1       -2.427   1.338  -0.029  0.00  0.00    +0.221 C 
ATOM     15  O   LIG    1       -2.253   2.559   0.018  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.630   0.636  -1.371  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1       -2.458   1.581  -2.559  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1       -3.373   1.036  -3.568  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -3.567   1.737  -4.282  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -4.583   0.721  -2.814  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -4.054   0.088  -1.537  0.00  0.00    +0.029 C 
ENDBRANCH  14  16
BRANCH  13  22
ATOM     22  C   LIG    1       -2.488   1.233   2.421  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -3.650   1.106   3.380  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.386   2.414   2.712  0.00  0.00    +0.024 C 
ENDBRANCH  13  22
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  25
ATOM     25  C   LIG    1        2.868  -0.287   0.792  0.00  0.00    +0.123 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.239   0.610  -0.389  0.00  0.00    +0.024 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.662   1.160  -0.303  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.855   2.172   0.825  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.502   3.656  -0.037  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        6.208   2.619   0.890  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9