REMARK  Name = BDB054893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.594   0.937  -0.837  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.457   0.128  -0.976  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.736   0.637  -1.515  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        0.785   1.980  -1.905  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.339   2.792  -1.766  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.522   2.273  -1.233  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.994   0.913  -0.124  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.747   0.338  -0.286  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.661  -0.643  -0.054  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.344   2.034  -0.475  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -7.093   0.548  -1.004  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -6.317  -0.021   0.042  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -7.214  -0.853   0.691  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -6.909  -1.641   1.799  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -5.598  -1.563   2.278  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.653  -0.740   1.658  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -8.425  -0.778   0.080  0.00  0.00    -0.353 OA
ATOM     18  C   LIG    1       -4.995   0.032   0.527  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1       -8.351   0.103  -0.984  0.00  0.00    -0.062 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -6.617   1.432  -1.904  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -7.305   1.986  -2.402  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -5.797   1.986  -1.636  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.957  -0.235  -1.643  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.933   0.100  -0.631  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.565   0.363   0.271  0.00  0.00    +0.151 HD
ATOM     26  C   LIG    1        4.136  -0.571  -0.611  0.00  0.00    +0.304 C 
ATOM     27  N   LIG    1        4.903  -0.165   0.454  0.00  0.00    -0.267 N 
ATOM     28  H   LIG    1        4.594   0.669   0.937  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        4.437  -1.402  -1.457  0.00  0.00    -0.252 OA
BRANCH  27  30
ATOM     30  C   LIG    1        6.167  -0.653   0.847  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1        6.814   0.015   1.895  0.00  0.00    +0.145 A 
ATOM     32  F   LIG    1        6.221   1.076   2.468  0.00  0.00    -0.204 F 
ATOM     33  C   LIG    1        8.061  -0.391   2.362  0.00  0.00    +0.040 A 
ATOM     34  C   LIG    1        8.684  -1.491   1.778  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        8.052  -2.173   0.737  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1        6.797  -1.758   0.273  0.00  0.00    +0.026 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6