REMARK  Name = BDB052335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.365   0.922   0.256  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.341   1.250   1.148  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.972   0.822   0.912  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.277   0.060  -0.216  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.245  -0.283  -1.099  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.066   0.145  -0.866  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.568  -0.419  -0.517  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        2.655  -0.949  -1.370  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.762  -0.073   0.102  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        4.795  -0.860  -0.388  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        4.517  -1.693  -0.882  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.882   0.798   0.953  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.172  -0.747  -0.101  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        7.010  -1.766  -0.575  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        8.388  -1.723  -0.341  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        8.941  -0.659   0.364  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.117   0.362   0.833  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        6.739   0.319   0.599  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  N   LIG    1       -3.177   2.657   0.398  0.00  0.00    -0.263 N 
ATOM     20  C   LIG    1       -2.738   1.353   0.506  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -3.876   0.616   0.811  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -4.915   1.567   0.890  0.00  0.00    +0.143 A 
ATOM     23  N   LIG    1       -4.496   2.807   0.642  0.00  0.00    -0.178 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.925  -0.818   0.994  0.00  0.00    -0.002 A 
ATOM     25  C   LIG    1       -4.841  -1.587   0.248  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -4.836  -2.960   0.478  0.00  0.00    +0.139 A 
ATOM     27  N   LIG    1       -5.781  -3.531  -0.329  0.00  0.00    -0.346 N 
ATOM     28  H   LIG    1       -5.975  -4.522  -0.345  0.00  0.00    +0.167 HD
ATOM     29  C   LIG    1       -6.391  -2.566  -1.088  0.00  0.00    +0.085 A 
ATOM     30  N   LIG    1       -4.058  -3.649   1.332  0.00  0.00    -0.237 NA
ATOM     31  C   LIG    1       -3.201  -2.861   2.019  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1       -5.827  -1.352  -0.755  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1       -3.093  -1.483   1.899  0.00  0.00    +0.029 A 
ENDBRANCH  21  24
BRANCH  19  35
ATOM     34  C   LIG    1       -2.355   4.015  -1.491  0.00  0.00    +0.029 C 
ATOM     35  C   LIG    1       -2.411   3.831   0.016  0.00  0.00    +0.141 C 
ENDBRANCH  19  35
ENDBRANCH   1  20
TORSDOF 5