REMARK  Name = BDB054903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.095  -1.266  -0.981  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.239  -1.567   0.081  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.075  -2.009  -0.154  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        1.535  -2.120  -1.471  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.687  -1.825  -2.536  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.622  -1.405  -2.292  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.094  -0.561   0.355  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.425  -0.821  -0.825  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.938  -0.676  -1.691  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.646  -0.669   1.490  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -4.429   1.496  -1.883  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -4.955   0.742  -0.798  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -6.308   1.048  -0.831  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -7.258   0.571   0.071  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -6.790  -0.271   1.081  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.439  -0.617   1.155  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -6.562   1.883  -1.871  0.00  0.00    -0.353 OA
ATOM     18  C   LIG    1       -4.506  -0.133   0.212  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1       -5.384   2.159  -2.538  0.00  0.00    -0.062 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -3.125   1.546  -2.230  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -2.421   1.468  -1.497  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -2.887   2.296  -2.877  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.989  -2.311   1.003  0.00  0.00    +0.139 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.586  -1.102   1.514  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1        2.421  -0.234   1.018  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        3.504  -1.138   2.536  0.00  0.00    +0.218 C 
ATOM     27  O   LIG    1        3.831  -2.176   3.106  0.00  0.00    -0.275 OA
BRANCH  26  28
ATOM     28  C   LIG    1        4.052   0.217   2.949  0.00  0.00    +0.131 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.641   1.014   1.808  0.00  0.00    -0.036 A 
ATOM     30  C   LIG    1        5.740   0.519   1.091  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        6.269   1.257   0.036  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1        7.313   0.772  -0.649  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        5.731   2.488  -0.319  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        4.644   2.993   0.392  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        4.101   2.260   1.451  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7