REMARK  Name = BDB003946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.859   2.716  -0.025  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.026   1.812  -0.029  0.00  0.00    +0.222 C 
ATOM      3  C   LIG    1       -3.378   0.407   0.434  0.00  0.00    +0.076 C 
ATOM      4  C   LIG    1       -2.481  -0.049   1.578  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1       -1.015  -0.193   1.164  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -0.811  -0.268  -0.366  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -1.932  -1.122  -0.996  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -0.862   1.137  -1.027  0.00  0.00    +0.243 C 
ATOM      9  O   LIG    1       -0.210   1.441  -2.027  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -3.333  -0.566  -0.744  0.00  0.00    +0.015 C 
ATOM     11  N   LIG    1       -1.766   2.048  -0.524  0.00  0.00    -0.254 N 
ATOM     12  H   LIG    1       -1.704   2.951  -0.977  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.469  -0.947  -0.668  0.00  0.00    -0.331 N 
ATOM     14  H   LIG    1        0.469  -1.317  -1.620  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.762  -0.590  -0.317  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        2.806  -1.477  -0.818  0.00  0.00    +0.018 C 
ATOM     17  C   LIG    1        4.093  -1.377  -0.455  0.00  0.00    -0.024 C 
ATOM     18  C   LIG    1        4.575  -0.325   0.501  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        3.567   0.810   0.729  0.00  0.00    +0.085 C 
ATOM     20 BR   LIG    1        4.054   2.362  -0.374  0.00  0.00    -0.083 Br
ATOM     21  C   LIG    1        2.138   0.488   0.393  0.00  0.00    +0.011 C 
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 2