REMARK  Name = BDB031115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.417  -1.718   0.157  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.527  -1.363  -0.529  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.719  -1.556   0.062  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.841  -2.121   1.325  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.691  -2.492   2.015  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.451  -2.289   1.422  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.303   0.541   0.283  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        4.118  -0.157  -0.858  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        2.876  -0.811  -1.101  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        1.902  -0.750  -0.103  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1        0.821  -1.481  -0.560  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        1.183  -1.873  -1.836  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        2.089  -0.040   1.086  0.00  0.00    +0.094 A 
ATOM     14  N   LIG    1        2.457  -1.479  -2.152  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        3.254   0.596   1.300  0.00  0.00    +0.031 A 
BRANCH   7  19
ATOM     16  C   LIG    1        7.369   2.638  -0.393  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1        6.178   1.839  -0.537  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        5.631   1.951  -1.380  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        5.610   1.218   0.551  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        6.083   1.250   1.682  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   3  21
ATOM     21  N   LIG    1       -3.823  -1.169  -0.695  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1       -3.407  -0.827  -1.562  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.682  -0.142  -0.069  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.910   0.115  -0.938  0.00  0.00    +0.201 C 
ATOM     25  F   LIG    1       -6.919   0.580  -0.144  0.00  0.00    -0.242 F 
ATOM     26  C   LIG    1       -5.485   1.226  -1.899  0.00  0.00    +0.119 C 
ATOM     27  N   LIG    1       -4.191   1.770  -1.433  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -3.440   1.392  -2.013  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -4.031   1.248  -0.063  0.00  0.00    +0.106 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 4