REMARK  Name = BDB021413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072  -2.957   0.344  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        5.483   0.348  -1.312  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1        4.622   0.623  -0.245  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        3.397  -0.056  -0.122  0.00  0.00    -0.032 A 
ATOM      5  C   LIG    1        2.454   0.280   1.005  0.00  0.00    +0.037 C 
ATOM      6  C   LIG    1        2.315  -0.848   2.026  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        2.229  -2.245   1.417  0.00  0.00    +0.108 C 
ATOM      8  N   LIG    1        1.381  -2.308   0.229  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        1.773  -1.788  -1.005  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        1.106  -1.907  -2.029  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.053  -1.030  -1.079  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        3.904  -1.288  -2.157  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        5.115  -0.605  -2.265  0.00  0.00    +0.046 A 
BRANCH   2  15
ATOM     14  C   LIG    1        7.116   1.932  -0.613  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        6.696   0.938  -1.538  0.00  0.00    -0.495 OA
ENDBRANCH   2  15
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1       -1.044  -2.004   0.799  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.168  -2.778   1.247  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -2.937  -2.179   1.132  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.513  -1.058  -0.328  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.739  -0.318   0.069  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.381   0.240  -1.143  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.554   1.151  -0.846  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.694   1.759   0.414  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.771   2.622   0.655  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.690   2.902  -0.357  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.542   2.317  -1.612  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.724   1.429   1.518  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.478   1.449  -1.857  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.432   0.786   0.996  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6