REMARK  Name = BDB064020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.564  -2.758  -2.012  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.276  -1.871  -1.234  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.173  -0.996  -0.434  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.507  -1.093  -0.509  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.410  -0.129   0.318  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.820  -0.425   0.019  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.955  -1.427  -0.878  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.802  -1.828  -1.232  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.489  -0.274   0.220  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.272   0.157   1.538  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.272   0.908   2.182  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.478   1.226   1.555  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.367   1.970   2.313  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.840   2.209   3.492  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.692   0.773   0.239  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.276   1.572   3.773  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.701   0.026  -0.411  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.873   0.226   0.573  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.571   1.007   1.150  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.254   0.309   0.130  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -4.012  -1.000   0.367  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1       -5.137  -1.179  -0.646  0.00  0.00    +0.161 C 
ATOM     23  O   LIG    1       -5.712   0.086  -0.952  0.00  0.00    -0.380 OA
ATOM     24  C   LIG    1       -4.841   0.930  -1.707  0.00  0.00    +0.161 C 
ATOM     25  C   LIG    1       -3.372   0.788  -1.313  0.00  0.00    +0.050 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3