REMARK  Name = BDB001001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.920  -1.934  -0.324  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -4.841  -1.406  -0.083  0.00  0.00    +0.167 C 
ATOM      3  C   LIG    1       -4.747   0.049   0.140  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -3.469   0.569   0.214  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -3.164   1.882   0.480  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -4.224   2.779   0.670  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -5.545   2.289   0.574  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.799   2.037   0.508  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1       -1.271   0.853   0.213  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -2.276  -0.066   0.041  0.00  0.00    -0.323 N 
ATOM     11  C   LIG    1       -2.261  -1.470  -0.313  0.00  0.00    +0.132 C 
ATOM     12  C   LIG    1       -5.806   0.936   0.312  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.548  -2.204   0.108  0.00  0.00    +0.101 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        0.162   0.573   0.122  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        0.716  -0.128  -0.954  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.095  -0.380  -1.010  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.965   0.063   0.003  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.394   0.793   1.061  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        1.018   1.048   1.119  0.00  0.00    +0.012 A 
BRANCH  17  20
ATOM     20  C   LIG    1        4.421  -0.198  -0.035  0.00  0.00    +0.071 A 
ATOM     21  N   LIG    1        5.202   0.732   0.575  0.00  0.00    -0.255 NA
ATOM     22  C   LIG    1        6.541   0.545   0.565  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        7.162  -0.541  -0.022  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.362  -1.495  -0.634  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.978  -1.325  -0.642  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH   9  14
TORSDOF 2