REMARK  Name = BDB063476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.318   0.824  -0.050  0.00  0.00    +0.204 A 
ATOM      2  N   LIG    1        0.746  -0.046   0.021  0.00  0.00    -0.184 NA
ATOM      3  C   LIG    1        1.793   0.757   0.005  0.00  0.00    +0.297 A 
ATOM      4  O   LIG    1        1.432   2.076  -0.071  0.00  0.00    -0.329 OA
ATOM      5  N   LIG    1        0.040   2.116  -0.107  0.00  0.00    -0.055 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.334  -1.416  -0.009  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.003  -1.002   0.002  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -1.695   0.361  -0.060  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -2.764   1.249  -0.132  0.00  0.00    +0.122 A 
ATOM     10  N   LIG    1       -4.069   0.876  -0.145  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1       -4.322  -0.449  -0.083  0.00  0.00    +0.111 A 
ENDBRANCH   1   8
BRANCH   3  12
ATOM     12  C   LIG    1        3.299   0.274   0.067  0.00  0.00    +0.226 A 
ATOM     13  N   LIG    1        4.301   1.164   0.046  0.00  0.00    -0.184 NA
ATOM     14  S   LIG    1        5.723   0.295   0.125  0.00  0.00    +0.026 S 
ATOM     15  C   LIG    1        4.917  -1.213   0.183  0.00  0.00    +0.178 A 
ATOM     16  N   LIG    1        3.609  -1.089   0.144  0.00  0.00    -0.223 NA
ENDBRANCH   3  12
TORSDOF 2