REMARK  Name = BDB017691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.055  -0.002  -1.749  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.476  -0.015  -1.224  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1        1.894  -0.997  -0.318  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        3.213  -1.007   0.150  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        4.144  -0.040  -0.259  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        5.519  -0.098   0.292  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1        6.431   0.905  -0.029  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        5.990   1.802  -0.214  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        7.690   1.030   0.697  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1        8.270  -0.357   0.945  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        7.255  -1.249   1.668  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.864  -1.117   1.106  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        4.876  -2.151   1.514  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.175  -3.075   2.265  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        3.724   0.921  -1.188  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.607  -2.021   1.028  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        2.954  -2.736   1.317  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        2.407   0.935  -1.663  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1       -3.223   0.738  -0.210  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -3.046   0.445  -1.652  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.923   1.320  -2.263  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -0.625   1.288  -1.549  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -0.883   1.589  -0.121  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -1.960   0.710   0.557  0.00  0.00    +0.120 C 
BRANCH  19  31
ATOM     25  C   LIG    1       -8.930   0.757  -0.841  0.00  0.00    +0.070 C 
ATOM     26  C   LIG    1       -8.200  -0.023   0.183  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1       -6.800  -0.085   0.400  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -6.670  -0.942   1.473  0.00  0.00    +0.168 A 
ATOM     29  C   LIG    1       -5.456  -1.289   2.048  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1       -4.310  -0.715   1.472  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -4.365   0.154   0.365  0.00  0.00    +0.031 A 
ATOM     32  O   LIG    1       -7.900  -1.370   1.863  0.00  0.00    -0.354 OA
ATOM     33  C   LIG    1       -5.638   0.475  -0.160  0.00  0.00    +0.036 A 
ATOM     34  N   LIG    1       -8.868  -0.795   1.052  0.00  0.00    -0.082 NA
ENDBRANCH  19  31
ENDBRANCH   1  22
TORSDOF 3