REMARK  Name = BDB059144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.004   0.080   0.201  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        0.861  -0.736   0.295  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1        0.993  -2.148   0.821  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1       -0.413  -0.212  -0.056  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1       -1.646  -1.086   0.082  0.00  0.00    +0.040 C 
ATOM      6  C   LIG    1       -2.991  -0.333   0.030  0.00  0.00    +0.007 C 
ATOM      7  C   LIG    1       -2.957   0.627  -1.162  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -1.858   1.669  -0.977  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -0.516   1.099  -0.574  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        0.638   1.906  -0.663  0.00  0.00    -0.044 A 
ATOM     11  C   LIG    1        0.580   3.320  -1.182  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        1.883   1.385  -0.278  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -4.178  -1.326  -0.048  0.00  0.00    +0.098 C 
ATOM     14  C   LIG    1       -5.550  -0.652  -0.129  0.00  0.00    +0.019 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.170  -2.306   1.115  0.00  0.00    +0.308 C 
ATOM     16  O   LIG    1       -3.993  -3.508   0.978  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.362  -1.744   2.327  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -4.482  -0.777   2.316  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   1  19
ATOM     19  O   LIG    1        3.185  -0.486   0.607  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.375   0.296   0.511  0.00  0.00    +0.229 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.857   0.184   0.942  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1        5.536  -0.562   1.004  0.00  0.00    +0.038 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6