REMARK  Name = BDB017107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.521  -1.394  -1.330  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.111  -2.341  -2.000  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.737  -0.276   0.448  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        6.183  -1.089  -0.544  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.793  -1.163  -0.735  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.941  -0.401   0.092  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.548  -0.471  -0.095  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.997  -1.283  -1.094  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.851  -2.041  -1.903  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.507   0.412   1.087  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        4.235  -1.981  -1.727  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.894   0.475   1.263  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.719   0.503   1.509  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        8.103  -0.306   0.514  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.424  -0.350  -0.735  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.897  -0.797  -0.872  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -2.874   0.296  -0.702  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -2.343   1.442   0.022  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -1.176   2.058  -0.761  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -0.248   1.017  -1.396  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.209  -0.178  -0.295  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -5.316   0.822  -0.712  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -6.016   1.478   0.474  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -6.621   0.447   1.425  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.776  -0.818   1.578  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.319  -0.588   1.189  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 4