REMARK  Name = BDB044349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.889   2.019   0.337  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.728   0.942  -0.229  0.00  0.00    +0.269 C 
ATOM      3  N   LIG    1        0.458   0.478  -0.760  0.00  0.00    -0.278 N 
ATOM      4  H   LIG    1        0.412  -0.441  -1.190  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.827  -0.026  -0.417  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -3.179   0.099  -0.008  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.912   1.177   0.714  0.00  0.00    +0.040 C 
ATOM      8  C   LIG    1       -5.438   1.020   0.522  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -5.896  -0.428   0.722  0.00  0.00    -0.024 C 
ATOM     10  C   LIG    1       -6.272  -0.866   2.123  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1       -5.208  -1.438  -0.202  0.00  0.00    +0.062 C 
ATOM     12  C   LIG    1       -7.344  -0.675   1.088  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -3.782  -1.074  -0.399  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -2.826  -1.820  -1.008  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -2.915  -2.743  -1.423  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -1.623  -1.213  -1.041  0.00  0.00    -0.169 NA
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        1.657   1.153  -0.735  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.823   0.664  -1.273  0.00  0.00    +0.132 A 
ATOM     19  N   LIG    1        3.780   1.614  -1.034  0.00  0.00    -0.265 N 
ATOM     20  N   LIG    1        3.302   2.703  -0.397  0.00  0.00    -0.177 NA
ATOM     21  C   LIG    1        2.009   2.413  -0.207  0.00  0.00    +0.157 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.178   1.564  -1.442  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.962   0.549  -0.646  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        6.160   0.726   0.733  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.888  -0.209   1.470  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.430  -1.326   0.838  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.244  -1.511  -0.531  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.515  -0.578  -1.271  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   3  17
TORSDOF 4