REMARK  Name = BDB001785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.921   1.400  -0.103  0.00  0.00    +0.324 A 
ATOM      2  C   LIG    1       -0.139   0.273   0.082  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1       -0.964  -0.838   0.163  0.00  0.00    -0.204 NA
ATOM      4  C   LIG    1       -2.180  -0.360   0.004  0.00  0.00    +0.232 A 
ATOM      5  O   LIG    1       -2.225   0.995  -0.183  0.00  0.00    -0.404 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.455  -1.072  -0.008  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -3.471  -2.463   0.180  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -4.674  -3.174   0.174  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.878  -2.501  -0.020  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.881  -1.121  -0.208  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.677  -0.410  -0.202  0.00  0.00    +0.013 A 
ENDBRANCH   4   6
BRANCH   2  12
ATOM     12  C   LIG    1        1.305   0.200   0.133  0.00  0.00    +0.146 C 
ATOM     13  N   LIG    1        1.886  -0.935   0.356  0.00  0.00    -0.253 NA
BRANCH  13  14
ATOM     14  C   LIG    1        3.287  -0.908   0.381  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        4.008  -1.426  -0.697  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        5.404  -1.413  -0.686  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        6.087  -0.891   0.412  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.375  -0.388   1.500  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.978  -0.402   1.486  0.00  0.00    +0.028 A 
ENDBRANCH  13  14
ENDBRANCH   2  12
BRANCH   1  20
ATOM     20  O   LIG    1       -0.780   2.702  -0.268  0.00  0.00    -0.391 OA
BRANCH  20  22
ATOM     21  C   LIG    1        0.157   4.792   0.161  0.00  0.00    +0.136 C 
ATOM     22  C   LIG    1        0.131   3.332   0.506  0.00  0.00    +0.311 C 
ATOM     23  O   LIG    1        0.839   2.831   1.369  0.00  0.00    -0.251 OA
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5