REMARK  Name = BDB064016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.278  -2.937  -1.969  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.360  -1.935  -1.288  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -0.265  -1.132  -0.676  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.023  -1.472  -0.816  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.805  -0.072   0.024  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -2.092  -0.198  -0.130  0.00  0.00    +0.193 C 
ATOM      7  N   LIG    1       -2.465  -1.260  -0.886  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -3.413  -1.521  -1.112  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.180  -0.766  -0.243  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.241   0.635  -0.181  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.394   1.242   0.349  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.483   0.494   0.801  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.548   1.230   1.296  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.267   2.510   1.217  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.417  -0.910   0.717  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.741   2.918   0.557  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.272  -1.523   0.192  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.992   0.659   0.418  0.00  0.00    -0.265 N 
ATOM     19  H   LIG    1       -2.564   1.397   0.963  0.00  0.00    +0.157 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.339   0.632   0.333  0.00  0.00    +0.187 A 
ATOM     21  S   LIG    1       -5.296   1.831   1.126  0.00  0.00    -0.039 S 
ATOM     22  C   LIG    1       -6.678   1.037   0.501  0.00  0.00    +0.183 A 
ATOM     23  N   LIG    1       -6.417  -0.023  -0.230  0.00  0.00    -0.148 NA
ATOM     24  N   LIG    1       -5.061  -0.254  -0.326  0.00  0.00    -0.126 NA
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3