REMARK  Name = BDB017108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.280  -0.760  -0.857  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -4.329  -1.784  -0.814  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -3.024  -1.550  -0.351  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -2.665  -0.255   0.080  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.358  -0.015   0.545  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.406  -1.043   0.583  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -0.776  -2.324   0.155  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.627   0.767   0.034  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.070  -2.575  -0.307  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.923   0.517  -0.430  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -7.510  -0.134  -1.394  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -6.505  -1.138  -1.331  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1        1.002  -0.842   1.063  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1        1.732  -1.830   1.143  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1        1.497   0.560   1.421  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1        1.746   1.395   0.152  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1        3.112   1.387  -0.371  0.00  0.00    -0.294 NA
ATOM     18  C   LIG    1        4.162   1.642   0.620  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1        3.656   1.707   2.064  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1        2.717   0.544   2.361  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1        3.332   0.303  -1.352  0.00  0.00    +0.108 C 
ATOM     22  C   LIG    1        4.000  -0.973  -0.828  0.00  0.00    +0.181 C 
ATOM     23  O   LIG    1        5.234  -0.675  -1.533  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1        4.641   0.507  -2.127  0.00  0.00    +0.181 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 4