REMARK  Name = BDB064008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.853   0.882  -3.683  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.829   0.508  -2.528  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.352   0.217  -1.667  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.604   0.298  -2.136  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.073  -0.138  -0.402  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.374  -0.090  -0.468  0.00  0.00    +0.193 C 
ATOM      7  N   LIG    1       -1.857   0.263  -1.683  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.839   0.408  -1.871  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.839   0.023  -1.386  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.992   0.388  -0.039  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.215   0.124   0.603  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.285  -0.477  -0.063  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.426  -0.673   0.699  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.219  -0.227   1.916  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.127  -0.822  -1.418  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.678   0.447   2.232  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.912  -0.564  -2.066  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.187  -0.374   0.585  0.00  0.00    -0.272 N 
ATOM     19  H   LIG    1       -1.698  -0.434   1.467  0.00  0.00    +0.156 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.553  -0.071   0.682  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1       -4.191   0.550  -0.339  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -5.519   0.782  -0.214  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -6.268   0.404   0.884  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.617  -0.255   1.916  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.249  -0.502   1.812  0.00  0.00    +0.044 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3