REMARK  Name = BDB044011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729   0.209   0.091  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.896   0.609  -0.565  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -1.909   1.491  -1.715  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1       -3.002   0.126   0.106  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -2.536  -0.382   1.298  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1       -3.396  -0.828   2.272  0.00  0.00    -0.320 N 
ATOM      7  H   LIG    1       -3.041  -1.181   3.149  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.767  -0.763   2.122  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1       -5.310  -0.273   0.813  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -6.697  -0.282   0.613  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -7.222   0.099  -0.619  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.364   0.469  -1.653  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.978   0.483  -1.456  0.00  0.00    +0.011 A 
ATOM     14  O   LIG    1       -5.517  -1.115   3.029  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1       -4.432   0.145  -0.214  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -1.135  -0.362   1.292  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  19
ATOM     17  N   LIG    1        1.628   0.283   0.490  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.399   0.105   1.456  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        0.615   0.389  -0.439  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1        0.848   0.618  -1.622  0.00  0.00    -0.269 OA
BRANCH  17  21
ATOM     21  C   LIG    1        3.026   0.395   0.121  0.00  0.00    +0.106 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.581  -0.934  -0.375  0.00  0.00    +0.034 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.975  -0.843  -1.014  0.00  0.00    +0.085 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.326   0.966  -0.048  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        6.129  -0.469  -0.191  0.00  0.00    -0.308 NA
ATOM     26  C   LIG    1        6.207  -1.167   1.084  0.00  0.00    +0.104 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 5