REMARK  Name = BDB057781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.583  -0.646   1.833  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1        0.016  -1.736   1.041  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1       -1.498  -1.589   0.900  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1       -1.873  -0.326   0.082  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -0.843   0.796   0.364  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1       -0.105   0.634   1.695  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.044  -0.580   1.794  0.00  0.00    +0.087 C 
BRANCH   7   8
ATOM      8  C   LIG    1        2.657  -0.069   0.487  0.00  0.00    +0.056 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.183  -0.053   0.570  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  O   LIG    1        4.682   0.437  -0.675  0.00  0.00    -0.492 OA
BRANCH  10  14
ATOM     11  C   LIG    1        8.777   0.823  -1.362  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        8.353   0.337  -0.121  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        6.988   0.191   0.153  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.039   0.530  -0.812  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        6.467   1.016  -2.051  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        7.828   1.163  -2.329  0.00  0.00    +0.022 A 
BRANCH  11  18
ATOM     17  N   LIG    1       11.309   1.091  -1.861  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1       10.176   0.971  -1.639  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -3.378   0.077   0.288  0.00  0.00    +0.097 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.309  -1.133   0.065  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -5.176  -1.582   1.076  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -6.021  -2.677   0.871  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.016  -3.344  -0.350  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.168  -2.918  -1.367  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.323  -1.824  -1.163  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -3.826   1.172  -0.716  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -5.326   1.617  -0.666  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -4.862   2.999  -1.159  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -3.499   2.688  -0.512  0.00  0.00    +0.007 C 
ENDBRANCH  19  26
BRANCH  19  30
ATOM     30  O   LIG    1       -3.561   0.568   1.620  0.00  0.00    -0.383 OA
ATOM     31  H   LIG    1       -2.962   1.316   1.760  0.00  0.00    +0.211 HD
ENDBRANCH  19  30
ENDBRANCH   4  19
TORSDOF 10