REMARK  Name = BDB056946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.208   1.165  -0.378  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.431   0.493   0.145  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.533  -0.261   1.407  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        0.709  -0.624   2.397  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.968  -0.650   1.480  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        3.485  -1.259   2.401  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.497  -0.141   0.287  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        2.572   0.544  -0.491  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.833  -0.232  -0.180  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        5.825  -0.912   0.541  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        7.142  -0.988   0.066  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        7.484  -0.370  -1.140  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        6.507   0.291  -1.883  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.195   0.362  -1.402  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.864  -0.426  -1.673  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        9.119  -0.582  -2.854  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        9.804  -0.237  -0.722  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        9.454   0.046   0.143  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -0.687  -0.386   2.440  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -1.508  -0.362   1.341  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.793  -0.174   1.747  0.00  0.00    +0.138 A 
ATOM     22  C   LIG    1       -2.828  -0.050   3.116  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -1.493  -0.207   3.559  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.792  -0.109   0.689  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -3.787  -0.935  -0.441  0.00  0.00    +0.137 A 
ATOM     26  C   LIG    1       -4.739  -0.810  -1.464  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -5.746   0.159  -1.368  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -6.763   0.278  -2.471  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.792   0.989  -0.230  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -6.856   2.045  -0.076  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.816   0.847   0.778  0.00  0.00    +0.017 A 
BRANCH  25  32
ATOM     32  N   LIG    1       -2.813  -2.001  -0.578  0.00  0.00    +0.057 N 
ATOM     33  O   LIG    1       -2.023  -1.920  -1.528  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1       -2.880  -2.936   0.231  0.00  0.00    -0.126 OA
ENDBRANCH  25  32
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 6