REMARK  Name = BDB001088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.483   0.349  -2.939  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -1.143  -0.041  -3.060  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.183   0.879  -3.499  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.553   2.176  -3.861  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.884   2.569  -3.738  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.841   1.665  -3.271  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.238   0.483  -3.618  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        1.890  -0.004  -2.488  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        1.388   0.132  -1.115  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1        2.517   0.290  -0.084  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        3.511  -0.788  -0.168  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        4.220  -1.326   0.898  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        4.936  -2.318   0.748  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        3.704  -1.393  -1.493  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1        3.267  -0.477  -2.640  0.00  0.00    +0.127 C 
ATOM     16  O   LIG    1        1.784   0.606  -4.711  0.00  0.00    -0.270 OA
BRANCH  12  17
ATOM     17  C   LIG    1        4.096  -0.643   2.265  0.00  0.00    +0.075 C 
ATOM     18  C   LIG    1        4.792   0.716   2.300  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        6.257   0.386   2.559  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1        6.259  -0.912   3.361  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        4.814  -1.407   3.381  0.00  0.00    +0.013 C 
ENDBRANCH  12  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  C   LIG    1       -3.527  -0.626  -2.444  0.00  0.00    +0.076 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.518  -0.776  -0.922  0.00  0.00    +0.233 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.023   0.431  -0.328  0.00  0.00    -0.491 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -5.688   0.016   1.369  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1       -4.358   0.216   0.982  0.00  0.00    +0.133 A 
ATOM     27  C   LIG    1       -3.351   0.311   1.946  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -3.663   0.165   3.298  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.982  -0.063   3.690  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.995  -0.134   2.730  0.00  0.00    +0.017 A 
BRANCH  25  34
ATOM     31  N   LIG    1       -7.935   0.587   0.672  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -7.959   1.303   1.386  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -8.624   0.639  -0.067  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -6.775  -0.071   0.363  0.00  0.00    +0.245 C 
ATOM     35  O   LIG    1       -6.662  -0.694  -0.684  0.00  0.00    -0.270 OA
ENDBRANCH  25  34
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7