REMARK  Name = BDB020845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.219   0.103  -0.157  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.892   1.310  -0.528  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -2.249   1.241  -0.729  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.626   2.487  -1.135  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.590   3.293  -1.119  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.992   0.073  -0.554  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.386  -1.035  -0.227  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.495   2.552  -0.730  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.018  -0.985  -0.038  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.355  -0.628   0.732  0.00  0.00    +0.404 C 
ATOM     11  N   LIG    1        4.021  -0.281   0.589  0.00  0.00    -0.263 N 
ATOM     12  C   LIG    1        3.106  -0.567   1.684  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        1.717  -0.942   1.167  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        1.229   0.010   0.096  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        2.127   0.767  -0.565  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        3.614   0.739  -0.366  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1        5.781  -1.325   1.644  0.00  0.00    -0.226 OA
BRANCH  10  18
ATOM     18  O   LIG    1        6.128  -0.103  -0.254  0.00  0.00    -0.445 OA
BRANCH  18  20
ATOM     19  C   LIG    1        8.261   0.242   0.930  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        7.558  -0.345  -0.298  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1        8.040   0.411  -1.546  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        7.866  -1.835  -0.480  0.00  0.00    +0.055 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -4.357   0.071  -0.741  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.652  -0.903  -0.814  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -5.205   0.710   0.263  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.652   0.481  -0.090  0.00  0.00    -0.020 A 
ATOM     27  C   LIG    1       -7.474  -0.464   0.568  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -8.797  -0.608   0.160  0.00  0.00    +0.135 A 
ATOM     29  O   LIG    1       -9.425  -1.556   0.908  0.00  0.00    -0.463 OA
ATOM     30  C   LIG    1       -8.515  -2.031   1.795  0.00  0.00    +0.196 A 
ATOM     31  C   LIG    1       -9.386   0.118  -0.870  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1       -8.571   1.041  -1.526  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -7.305  -1.398   1.630  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1       -7.237   1.217  -1.148  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6