REMARK  Name = BDB017583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.623   3.836   0.087  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.204   2.703   0.303  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.074   1.506   0.181  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.531   1.764  -0.094  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.294   0.482  -0.431  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.905  -0.631   0.531  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.456  -0.824   0.502  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.157  -1.445   1.253  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.589   0.266   0.396  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.123   0.063   0.605  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -2.355   1.218   0.863  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -0.998   1.152   1.192  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.346  -0.079   1.227  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.073  -1.227   0.887  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -2.442  -1.178   0.536  0.00  0.00    -0.011 A 
ATOM     16  N   LIG    1       -2.928   2.488   0.730  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.361   3.318   0.835  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        1.117  -0.173   1.607  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.948  -0.804   0.574  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.260  -1.192   1.134  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        4.339  -1.486   0.066  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        4.554  -0.326  -0.815  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        3.497   0.697  -0.802  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        2.108   0.037  -0.635  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.847   0.131  -1.032  0.00  0.00    +0.121 A 
ATOM     26  N   LIG    1        6.067   1.466  -1.091  0.00  0.00    -0.237 NA
ATOM     27  C   LIG    1        7.329   1.904  -1.324  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        8.406   1.065  -1.514  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1        9.630   1.557  -1.741  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        8.194  -0.298  -1.474  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        6.901  -0.768  -1.235  0.00  0.00    +0.046 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
BRANCH  15  32
ATOM     32  C   LIG    1       -3.114  -2.450   0.062  0.00  0.00    +0.191 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -2.173  -3.448  -0.334  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -2.682  -4.142  -0.784  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  15  32
TORSDOF 5