REMARK  Name = BDB053717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.806  -1.887  -2.419  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1        0.185  -1.434  -1.220  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.164  -0.200  -0.498  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.690  -0.353   0.596  0.00  0.00    +0.043 A 
ATOM      5  N   LIG    1       -1.052  -1.701   0.662  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -0.606  -2.330  -0.500  0.00  0.00    +0.146 A 
ATOM      7  N   LIG    1       -0.838  -3.621  -0.831  0.00  0.00    -0.237 NA
ATOM      8  C   LIG    1       -0.262  -4.009  -1.979  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        0.537  -3.215  -2.785  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        0.824   1.040  -0.890  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        1.926   1.428  -0.130  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.577   0.572   0.869  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.659   1.324   1.664  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.704   1.933   0.827  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.131   2.706   1.337  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.184   2.410  -0.467  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.662   2.630  -0.522  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.432   1.677  -1.864  0.00  0.00    -0.270 OA
ENDBRANCH   3  10
BRANCH   5  19
ATOM     19  C   LIG    1       -1.741  -2.350   1.736  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -1.465  -2.002   3.067  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.134  -2.639   4.115  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.074  -3.631   3.844  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.340  -3.994   2.526  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.673  -3.362   1.474  0.00  0.00    +0.026 A 
ENDBRANCH   5  19
BRANCH   1  26
ATOM     25  C   LIG    1        2.519  -1.651  -4.352  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        1.673  -0.986  -3.273  0.00  0.00    +0.032 C 
ENDBRANCH   1  26
BRANCH   4  27
ATOM     27  C   LIG    1       -1.231   0.699   1.534  0.00  0.00    +0.090 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.687   1.982   0.862  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -2.809   2.032   0.004  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -3.623   0.816  -0.338  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -3.145   3.256  -0.593  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -4.192   3.328  -1.428  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -2.424   4.418  -0.339  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -1.334   4.376   0.522  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -0.970   3.168   1.119  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 5