REMARK  Name = BDB064067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.209   0.925  -0.240  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -3.861   0.399  -0.188  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1       -3.447  -0.847  -0.624  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1       -4.337  -2.068  -1.305  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1       -2.082  -0.944  -0.400  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1       -1.512  -1.736  -0.660  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1       -1.618   0.212   0.158  0.00  0.00    +0.096 C 
ATOM      8  C   LIG    1       -0.366   0.529   0.502  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.794   1.125   0.301  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1       -2.774   2.257   0.751  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        0.798  -0.291   0.401  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.116   0.149   0.066  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        2.947  -0.972   0.117  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        4.318  -0.912  -0.162  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.857   0.331  -0.505  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.055   1.468  -0.565  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        2.164  -2.043   0.481  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1        2.509  -2.984   0.611  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1        2.686   1.391  -0.283  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        0.866  -1.643   0.665  0.00  0.00    +0.091 A 
ENDBRANCH   8  11
TORSDOF 1