REMARK  Name = BDB002479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.273   4.769  -0.260  0.00  0.00    -0.249 OA
ATOM      2  C   LIG    1       -0.351   3.732  -0.459  0.00  0.00    +0.331 C 
ENDROOT
BRANCH   2   3
ATOM      3  O   LIG    1        0.126   2.490  -0.196  0.00  0.00    -0.457 OA
BRANCH   3   4
ATOM      4  C   LIG    1        1.415   2.468   0.435  0.00  0.00    +0.288 C 
BRANCH   4   5
ATOM      5  C   LIG    1        1.794   1.071   0.813  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1        3.069   0.611   0.515  0.00  0.00    -0.241 NA
ATOM      7  C   LIG    1        3.231  -0.638   0.915  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        1.842  -1.315   1.684  0.00  0.00    -0.075 S 
ATOM      9  C   LIG    1        0.991   0.149   1.456  0.00  0.00    +0.074 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.485  -1.403   0.735  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        5.585  -0.764   0.135  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        6.797  -1.433  -0.063  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.931  -2.759   0.336  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.857  -3.413   0.931  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.644  -2.742   1.128  0.00  0.00    +0.010 A 
ENDBRANCH   7  10
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
BRANCH   2  16
ATOM     16  C   LIG    1       -1.702   3.699  -1.105  0.00  0.00    +0.288 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.548   2.690  -0.520  0.00  0.00    -0.152 N 
ATOM     18  N   LIG    1       -3.045   1.664  -1.235  0.00  0.00    -0.130 NA
ATOM     19  C   LIG    1       -3.779   1.045  -0.292  0.00  0.00    +0.205 A 
ATOM     20  N   LIG    1       -3.734   1.702   0.919  0.00  0.00    -0.108 NA
ATOM     21  N   LIG    1       -2.958   2.763   0.756  0.00  0.00    -0.045 NA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.544  -0.177  -0.502  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.298  -0.732   0.543  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -6.032  -1.905   0.346  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.018  -2.537  -0.896  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.273  -1.997  -1.943  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.539  -0.824  -1.747  0.00  0.00    +0.012 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7