REMARK  Name = BDB057117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.285  -1.434  -0.870  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.077  -0.692   0.292  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.069   0.101   0.427  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.017   0.171  -0.603  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -0.800  -0.575  -1.768  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.345  -1.364  -1.900  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.362  -2.234  -1.134  0.00  0.00    -0.487 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.202  -2.619  -0.042  0.00  0.00    +0.264 C 
BRANCH   8  12
ATOM      9  C   LIG    1        6.420   0.159   0.798  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        5.880  -0.638   1.809  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.838  -1.529   1.538  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.310  -1.629   0.244  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        4.867  -0.840  -0.770  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        5.910   0.053  -0.495  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1        8.015   1.816   0.204  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        7.431   0.986   1.200  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -2.259   1.018  -0.459  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.414   0.149  -0.275  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -3.194  -0.683   0.268  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.663   0.689   0.030  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.656  -0.165   0.528  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -6.947   0.307   0.799  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1       -7.286   1.633   0.520  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -6.321   2.484  -0.013  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -5.027   2.010  -0.260  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -7.942  -0.639   1.349  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1       -8.042  -1.796   0.983  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -8.692  -0.097   2.333  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -8.386   0.777   2.638  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 9