REMARK  Name = BDB013238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.058  -0.309  -0.202  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.353  -1.205  -1.048  0.00  0.00    +0.191 A 
ATOM      3  N   LIG    1        1.002  -0.987  -1.212  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.567  -1.988  -2.031  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.578  -2.754  -2.373  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.306   0.067  -0.604  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.961   0.880   0.178  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.701  -2.261  -1.754  0.00  0.00    -0.127 NA
ATOM      9  C   LIG    1        2.314   0.673   0.358  0.00  0.00    +0.146 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        7.542   0.516   1.519  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1        6.406  -0.082   0.790  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1        5.170   0.414   0.861  0.00  0.00    -0.150 NA
ATOM     13  N   LIG    1        4.440  -0.423   0.052  0.00  0.00    -0.215 N 
ATOM     14  C   LIG    1        5.325  -1.371  -0.445  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1        6.545  -1.178  -0.001  0.00  0.00    -0.219 NA
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1       -1.044   0.206  -0.844  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.412  -0.177  -1.708  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.758   1.398  -0.415  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.235   1.169  -0.559  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -3.951   0.360   0.317  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.485  -0.442   1.475  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -4.839  -0.793   2.093  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -5.861  -0.699   1.073  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.310   0.137   0.138  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.017   0.695  -0.908  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.322   1.515  -1.797  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.950   1.742  -1.619  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.311   2.517  -2.507  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4