REMARK  Name = BDB001617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.043  -0.067  -1.365  0.00  0.00    +0.270 C 
ATOM      2  O   LIG    1        0.320  -1.150  -1.804  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -1.693  -2.453  -0.444  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.128  -1.028  -0.231  0.00  0.00    -0.038 A 
ATOM      5  C   LIG    1       -1.367   0.083  -0.659  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -1.855   1.382  -0.417  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.073   1.584   0.233  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.823   0.492   0.651  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.356  -0.802   0.419  0.00  0.00    +0.004 A 
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  N   LIG    1        0.683   1.080  -1.509  0.00  0.00    -0.152 NA
ATOM     11  C   LIG    1        1.859   1.156  -1.004  0.00  0.00    +0.165 A 
ATOM     12  N   LIG    1        2.720   0.362  -0.245  0.00  0.00    -0.331 N 
ATOM     13  C   LIG    1        2.438  -1.004   0.153  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1        3.946   0.960   0.022  0.00  0.00    +0.094 A 
ATOM     15  C   LIG    1        4.111   2.201  -0.447  0.00  0.00    +0.066 A 
ATOM     16  S   LIG    1        2.695   2.739  -1.300  0.00  0.00    -0.061 S 
ENDBRANCH   1  10
TORSDOF 2