REMARK  Name = BDB013996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.669  -0.905   0.106  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.608   0.105  -0.399  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.878   1.311  -0.458  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.631  -0.409  -0.799  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.997  -1.783  -0.619  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.720  -2.454   0.591  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.073  -3.806   0.736  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.705  -4.490  -0.300  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.993  -3.830  -1.488  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.104  -1.730   1.758  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.644  -2.486  -1.646  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.362  -1.390   1.521  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.687  -0.180  -1.105  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.978  -0.257   0.081  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.075   0.596   0.631  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.466  -0.887  -2.082  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.808   0.882  -1.072  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.037   0.271  -0.405  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.188   3.219  -0.469  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.298   2.071  -0.334  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        3.392   2.325  -0.745  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.565   0.498  -1.481  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.889   0.676  -0.748  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1       -3.024   1.458   0.429  0.00  0.00    -0.034 A 
ATOM     25  C   LIG    1       -1.839   2.211   0.986  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.276   1.498   1.101  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1       -5.377   0.814   0.553  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.252   0.084  -0.622  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.020   0.013  -1.262  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -4.477   2.264   2.394  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -5.691   2.043   2.976  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.397   3.614   2.223  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -3.557   1.946   3.348  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6