REMARK  Name = BDB046616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.065   5.783   0.337  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -0.082   4.565   0.206  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -1.296   3.783   0.472  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.242   2.401   0.334  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -2.364   1.610   0.566  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1       -2.344   0.232   0.353  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -3.103  -0.248   0.836  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -1.045  -0.426   0.548  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        0.070   0.249  -0.299  0.00  0.00    +0.069 C 
ATOM     10  C   LIG    1       -3.571   2.250   0.880  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.633   3.639   1.030  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        0.021   1.783  -0.097  0.00  0.00    +0.077 A 
ATOM     13  N   LIG    1        1.077   2.496  -0.364  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -2.490   4.411   0.833  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        1.017   3.846  -0.199  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1        1.864   4.366  -0.403  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        1.541  -0.259  -0.029  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1        1.720  -1.653   0.594  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1        3.109  -1.953   0.964  0.00  0.00    -0.316 NA
ATOM     20  H   LIG    1        3.241  -2.965   0.950  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        4.110  -1.313   0.113  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        3.615  -1.087  -1.307  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        2.380  -0.185  -1.333  0.00  0.00    +0.007 C 
ENDBRANCH   9  17
BRANCH   8  24
ATOM     24  C   LIG    1       -1.310  -1.889   0.234  0.00  0.00    -0.009 A 
ATOM     25  C   LIG    1       -1.474  -2.352  -1.070  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1       -1.718  -3.643  -1.395  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -1.834  -4.518  -0.376  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -1.722  -4.162   0.957  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -1.464  -2.829   1.263  0.00  0.00    +0.008 A 
ENDBRANCH   8  24
TORSDOF 2