REMARK  Name = BDB017638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.448   0.911  -1.148  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1        1.257   0.040  -1.230  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.038   0.824  -1.775  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.278   2.090  -1.071  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.961   2.902  -1.015  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.198   2.179  -0.431  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.899  -1.066   0.162  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        5.351   0.018   0.825  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1        4.237   0.677   0.415  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1        3.598   0.239  -0.694  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        4.093  -0.854  -1.411  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        5.243  -1.517  -0.977  0.00  0.00    +0.018 A 
BRANCH   7  15
ATOM     13  N   LIG    1        8.040  -0.993   1.321  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        7.965   0.015   1.301  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        7.118  -1.759   0.636  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1        7.275  -2.948   0.385  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     17  C   LIG    1       10.332  -1.548   0.630  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        9.307  -1.552   1.750  0.00  0.00    +0.101 C 
ENDBRANCH  13  18
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1       -0.823   1.867   0.279  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.204   1.244   0.269  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.245   1.829  -0.464  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.521   1.259  -0.456  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -4.795   0.090   0.270  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -6.167  -0.472   0.222  0.00  0.00    +0.045 A 
ATOM     25  N   LIG    1       -6.436  -1.682   0.861  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -5.631  -2.300   0.898  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -7.686  -2.392   0.614  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -8.833  -1.391   0.546  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -8.549  -0.311  -0.503  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -7.130   0.190  -0.450  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -6.834   1.442  -1.198  0.00  0.00    +0.254 A 
ATOM     32  O   LIG    1       -7.702   2.042  -1.825  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1       -3.755  -0.472   1.024  0.00  0.00    +0.012 A 
ATOM     34  N   LIG    1       -5.544   1.886  -1.173  0.00  0.00    -0.322 N 
ATOM     35  H   LIG    1       -5.359   2.735  -1.689  0.00  0.00    +0.169 HD
ATOM     36  C   LIG    1       -2.475   0.095   1.022  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5