REMARK  Name = BDB014039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.340  -1.722  -1.814  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.069  -1.195  -2.157  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.996  -1.989  -2.338  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.232   0.194  -2.277  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.816   1.083  -2.704  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.880   0.644  -3.523  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.915   1.534  -3.868  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.898   2.854  -3.430  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.843   3.302  -2.649  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.924  -0.748  -4.102  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.813   2.426  -2.295  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.226  -1.811  -3.054  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -2.885  -1.404   0.121  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -1.949  -0.913  -0.754  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -1.594   0.023  -0.612  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -3.257  -2.576   0.099  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -3.400  -0.406   1.185  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -3.702   0.987   0.634  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -1.218   0.170   2.226  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -2.543  -0.408   2.389  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -2.450  -1.376   2.706  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        1.602   0.708  -2.128  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.019   0.867  -0.676  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1        2.316  -0.258   0.112  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.676  -0.153   1.470  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1        2.724   1.129   2.056  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1        3.077   1.331   3.506  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        2.473   2.259   1.260  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        2.132   2.129  -0.088  0.00  0.00    +0.005 A 
BRANCH  25  30
ATOM     30  C   LIG    1        2.993  -1.381   2.219  0.00  0.00    -0.018 A 
ATOM     31  C   LIG    1        1.998  -2.329   2.505  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        2.300  -3.497   3.209  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        3.605  -3.738   3.633  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        4.608  -2.814   3.349  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        4.304  -1.647   2.645  0.00  0.00    +0.008 A 
ENDBRANCH  25  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6