REMARK  Name = BDB011641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024  -1.458  -1.473  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.867  -0.960  -0.545  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.495  -0.730   0.372  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.303  -2.072  -2.483  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.233  -0.942  -0.589  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.991  -0.652   0.662  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.444  -0.316   1.703  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.358  -0.738   0.372  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.480  -0.985  -1.037  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.408  -2.080  -1.369  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -3.167  -1.073  -1.544  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.966  -1.228  -3.018  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.246   0.234   1.015  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.029   1.671   0.490  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.222   2.598   0.743  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.003   2.200   1.987  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -7.560   0.778   1.882  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.729  -0.139   0.978  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        1.432   1.081   0.130  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.049  -0.161  -0.395  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.385  -0.511  -0.337  0.00  0.00    +0.172 A 
ATOM     22  O   LIG    1        3.567  -1.684  -0.993  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        2.364  -2.149  -1.466  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.437  -1.245  -1.109  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.591   0.142   0.248  0.00  0.00    +0.215 C 
ATOM     26  C   LIG    1        5.773  -0.818   0.522  0.00  0.00    +0.152 C 
ATOM     27  C   LIG    1        5.464  -1.800   1.650  0.00  0.00    +0.041 C 
ATOM     28  O   LIG    1        6.946  -0.084   0.934  0.00  0.00    -0.366 OA
ATOM     29  C   LIG    1        7.311   0.969   0.020  0.00  0.00    +0.088 C 
ATOM     30  C   LIG    1        8.434   1.757   0.702  0.00  0.00    +0.043 C 
ATOM     31  C   LIG    1        7.839   0.385  -1.298  0.00  0.00    +0.043 C 
ATOM     32  C   LIG    1        6.101   1.894  -0.214  0.00  0.00    +0.195 C 
ATOM     33  O   LIG    1        4.970   1.159  -0.698  0.00  0.00    -0.363 OA
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4