REMARK  Name = BDB058688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.685  -2.121   3.620  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.720  -1.282   2.384  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.602  -0.470   1.840  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1        0.337  -0.331   2.297  0.00  0.00    +0.006 C 
ATOM      5  C   LIG    1       -0.189  -1.089   3.496  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        2.211   0.154   0.617  0.00  0.00    +0.273 C 
ATOM      7  O   LIG    1        1.666   0.914  -0.161  0.00  0.00    -0.268 OA
ATOM      8  N   LIG    1        3.521  -0.350   0.610  0.00  0.00    -0.156 N 
ATOM      9  N   LIG    1        3.805  -1.199   1.665  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.549  -0.090  -0.334  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        5.815  -0.681  -0.176  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        6.850  -0.444  -1.090  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        6.637   0.395  -2.185  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        5.384   0.990  -2.357  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        4.352   0.748  -1.439  0.00  0.00    +0.026 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.698   0.680  -3.181  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        7.588   1.400  -4.156  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        8.853   0.048  -2.909  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        9.447   0.326  -3.638  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   4  20
ATOM     20  C   LIG    1       -0.574   0.534   1.601  0.00  0.00    +0.132 A 
ATOM     21  O   LIG    1       -1.736   0.063   1.035  0.00  0.00    -0.455 OA
ATOM     22  C   LIG    1       -2.418   1.106   0.477  0.00  0.00    +0.138 A 
ATOM     23  C   LIG    1       -1.726   2.273   0.714  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -0.562   1.912   1.436  0.00  0.00    +0.050 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.669   0.749  -0.189  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.196   1.419  -1.298  0.00  0.00    +0.137 A 
ATOM     27  C   LIG    1       -5.412   1.055  -1.898  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -6.149  -0.022  -1.390  0.00  0.00    -0.045 A 
ATOM     29  C   LIG    1       -7.447  -0.405  -2.045  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.645  -0.729  -0.281  0.00  0.00    -0.047 A 
ATOM     31  C   LIG    1       -6.391  -1.899   0.305  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -4.422  -0.335   0.300  0.00  0.00    +0.017 A 
BRANCH  26  33
ATOM     33  N   LIG    1       -3.487   2.521  -1.904  0.00  0.00    +0.057 N 
ATOM     34  O   LIG    1       -3.818   3.661  -1.549  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1       -2.636   2.244  -2.757  0.00  0.00    -0.126 OA
ENDBRANCH  26  33
ENDBRANCH  22  25
ENDBRANCH   4  20
TORSDOF 6