REMARK  Name = BDB013252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.599  -0.011  -1.239  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.401   0.171  -1.053  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.660  -0.599  -0.048  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.309  -0.336   0.109  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.529  -1.031   1.035  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.155  -0.788   1.209  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -0.598   0.126   0.459  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -1.307   0.888  -0.475  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -0.581   1.791  -1.378  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1        0.774   2.224  -0.812  0.00  0.00    +0.107 C 
ATOM     11  N   LIG    1        1.562   1.048  -0.422  0.00  0.00    -0.289 NA
ATOM     12  C   LIG    1        0.897   0.378   0.715  0.00  0.00    +0.159 C 
ATOM     13  C   LIG    1       -3.149  -2.009   1.816  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -4.514  -2.283   1.671  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.665   0.695  -0.719  0.00  0.00    +0.165 A 
ATOM     16  N   LIG    1       -3.341   1.366  -1.613  0.00  0.00    -0.152 NA
ATOM     17  C   LIG    1       -5.275  -1.578   0.735  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -4.671   1.097  -1.763  0.00  0.00    -0.241 N 
ATOM     19  H   LIG    1       -5.166   1.638  -2.465  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  11  20
ATOM     20  C   LIG    1        2.936   1.442  -0.068  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.864   0.266   0.145  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        4.534   0.096   1.366  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.397  -0.985   1.554  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.602  -1.904   0.527  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.945  -1.745  -0.691  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.082  -0.665  -0.882  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 2