REMARK  Name = BDB035857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.656   0.944  -0.505  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1        0.326  -0.205   0.356  0.00  0.00    +0.090 C 
ATOM      3  C   LIG    1       -0.807   0.283   1.259  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1       -1.006   1.742   0.870  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -2.481   2.027   1.094  0.00  0.00    +0.110 C 
ATOM      6  N   LIG    1       -3.130   0.724   0.979  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -2.162  -0.372   0.950  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -0.553   1.768  -0.581  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.492   0.550   0.938  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -5.406   1.599   1.098  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -6.762   1.502   1.061  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -7.276   0.270   0.849  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -6.473  -0.850   0.677  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -5.083  -0.700   0.726  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -8.767   0.105   0.768  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -9.634   1.107   1.141  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1      -10.608   0.856   1.021  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -9.327   2.381   1.744  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -9.245  -0.957   0.361  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.164   0.564  -1.825  0.00  0.00    +0.121 C 
BRANCH  20  29
ATOM     21  C   LIG    1        7.370  -1.520  -1.127  0.00  0.00    -0.003 C 
ATOM     22  C   LIG    1        7.362  -0.115  -0.615  0.00  0.00    +0.164 C 
ATOM     23  O   LIG    1        8.404   0.389  -0.192  0.00  0.00    -0.292 OA
ATOM     24  C   LIG    1        6.072   0.679  -0.618  0.00  0.00    +0.116 C 
ATOM     25  C   LIG    1        4.877  -0.033  -1.177  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1        4.971  -1.330  -1.661  0.00  0.00    +0.068 A 
ATOM     27  N   LIG    1        3.929  -2.011  -2.183  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        2.736  -1.374  -2.221  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1        2.524  -0.083  -1.757  0.00  0.00    -0.015 A 
ATOM     30  C   LIG    1        3.627   0.593  -1.227  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        6.238  -2.048  -1.619  0.00  0.00    +0.035 C 
BRANCH  21  33
ATOM     32  C   LIG    1        9.011  -2.780   0.301  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        8.673  -2.271  -1.094  0.00  0.00    +0.035 C 
ENDBRANCH  21  33
ENDBRANCH  20  29
ENDBRANCH   1  20
TORSDOF 5