REMARK  Name = BDB021506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.984  -0.133  -0.589  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.265  -0.008   0.598  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.860   0.128   0.607  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        1.391   0.244   1.885  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.001   0.442   2.103  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.825  -0.651   1.449  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.215  -0.249   0.107  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.311   0.263  -0.816  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.700   0.814  -1.848  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.161   0.129  -0.607  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        1.902   0.009  -1.802  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.292  -0.122  -1.793  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.338  -0.269  -0.706  0.00  0.00    -0.491 OA
BRANCH  13  14
ATOM     14  C   LIG    1        6.101  -0.273   0.502  0.00  0.00    +0.235 C 
BRANCH  14  17
ATOM     15  N   LIG    1        9.344   0.683   0.451  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        8.247   0.789  -0.522  0.00  0.00    +0.092 C 
ATOM     17  C   LIG    1        7.564  -0.435   0.123  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1        8.579  -0.265   1.272  0.00  0.00    +0.092 C 
BRANCH  15  20
ATOM     19  C   LIG    1       10.521  -1.207  -0.880  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       10.574   0.114  -0.114  0.00  0.00    +0.081 C 
ENDBRANCH  15  20
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -2.652  -0.070  -0.156  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.151   1.335   0.232  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.105   1.508   1.659  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -3.412   2.413   1.841  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -4.567   1.627  -0.327  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.588   0.577  -0.127  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -6.784   0.895  -0.937  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -7.955  -0.035  -0.705  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -8.043  -0.807   0.464  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -9.154  -1.636   0.671  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1      -10.185  -1.679  -0.266  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1      -10.111  -0.900  -1.418  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.912  -0.792   1.457  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -9.004  -0.080  -1.636  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.979   0.416   1.282  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 9