REMARK  Name = BDB044084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.283   2.291  -1.775  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        0.363   1.361  -1.065  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.447   0.025  -0.709  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -0.842  -0.366  -0.217  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.654   0.763  -0.220  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1       -0.894   1.794  -0.720  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1       -1.235   2.737  -0.843  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.288  -1.655   0.294  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -2.324  -2.350  -0.341  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.746  -3.586   0.153  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.135  -4.132   1.281  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.104  -3.444   1.919  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.681  -2.208   1.428  0.00  0.00    +0.008 A 
ENDBRANCH   4   8
BRANCH   5  14
ATOM     14  C   LIG    1       -3.036   0.987   0.210  0.00  0.00    -0.001 A 
ATOM     15  C   LIG    1       -3.449   0.638   1.502  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.765   0.862   1.911  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.681   1.438   1.032  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.282   1.789  -0.257  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.965   1.565  -0.665  0.00  0.00    +0.010 A 
ENDBRANCH   5  14
BRANCH   3  20
ATOM     20  C   LIG    1        1.699  -0.902  -0.927  0.00  0.00    +0.077 A 
ATOM     21  N   LIG    1        3.050  -0.582  -0.985  0.00  0.00    -0.232 N 
ATOM     22  N   LIG    1        3.760  -1.583  -1.586  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1        2.915  -2.613  -1.604  0.00  0.00    +0.135 A 
ATOM     24  C   LIG    1        1.631  -2.260  -1.166  0.00  0.00    +0.050 A 
BRANCH  21  25
ATOM     25  C   LIG    1        3.763   0.494  -0.380  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        5.066   0.784  -0.811  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        5.793   1.816  -0.213  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.232   2.551   0.829  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.949   2.250   1.283  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        3.216   1.220   0.687  0.00  0.00    +0.028 A 
ENDBRANCH  21  25
ENDBRANCH   3  20
TORSDOF 4