REMARK  Name = BDB017569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.832  -1.115   0.770  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.661  -1.662  -0.209  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.939  -1.139  -0.424  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.460  -0.081   0.352  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        4.879   0.310   0.086  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        5.556   1.121   0.997  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        5.253   0.942   1.951  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        7.000   1.314   0.912  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        7.411   1.440  -0.547  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        6.934   0.221  -1.340  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.521  -0.174  -0.998  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.896  -1.193  -1.875  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        5.460  -1.626  -2.876  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.585   0.529   1.286  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1        2.919   1.770   2.073  0.00  0.00    +0.044 C 
ATOM     16  N   LIG    1        3.680  -1.667  -1.487  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.278  -2.378  -2.084  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.300  -0.019   1.501  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1       -0.550  -1.683   1.014  0.00  0.00    +0.119 C 
BRANCH  19  23
ATOM     20  N   LIG    1       -4.177  -0.536  -0.688  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1       -2.980  -0.076  -1.429  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -1.684  -0.244  -0.603  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1       -1.415  -1.640  -0.174  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -2.680  -2.379   0.050  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.896  -1.495   0.404  0.00  0.00    +0.120 C 
BRANCH  20  28
ATOM     26  C   LIG    1       -6.970  -1.000  -1.256  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -6.482   0.239  -0.555  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1       -5.106   0.446  -0.306  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1       -4.710   1.626   0.349  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -5.649   2.577   0.753  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -6.994   2.352   0.509  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1       -7.898   3.260   0.902  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -7.419   1.197  -0.135  0.00  0.00    +0.043 A 
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 3