REMARK  Name = BDB036854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.807  -0.243  -1.825  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        0.361  -0.441  -1.074  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.268   0.606  -0.924  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        1.006   1.833  -1.541  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.134   2.013  -2.328  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.038   0.966  -2.483  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.953  -2.365  -1.829  0.00  0.00    +0.133 C 
ATOM      8  N   LIG    1       -3.033  -1.298  -1.459  0.00  0.00    -0.289 N 
ATOM      9  C   LIG    1       -1.741  -1.372  -1.981  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -1.304  -2.357  -2.574  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.552  -0.318  -0.479  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.922   1.048  -1.076  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.269   1.212  -2.244  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.951   2.101  -0.190  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.231   2.993  -0.574  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.779   2.065   1.171  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -3.968   3.064   1.859  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.432   0.725   1.778  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -2.698  -0.159   0.779  0.00  0.00    +0.041 C 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  O   LIG    1        2.430   0.566  -0.205  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.833  -0.703   0.311  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.155  -0.548   1.026  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        4.313   0.421   2.029  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        5.526   0.548   2.708  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.591  -0.295   2.397  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.445  -1.265   1.407  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.232  -1.393   0.726  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5