REMARK  Name = BDB031015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.988  -0.801   1.132  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1        2.096   0.200   1.207  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.160  -1.298   0.568  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        4.156  -0.401   0.437  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        5.337  -0.822  -0.090  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        5.529  -2.140  -0.458  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1        6.683  -2.600  -0.959  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        4.471  -2.988  -0.263  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        3.292  -2.594   0.253  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1        6.373   0.226  -0.223  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        6.449   1.268   0.726  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        7.433   2.265   0.594  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        8.347   2.264  -0.459  0.00  0.00    +0.078 A 
ATOM     14  N   LIG    1        9.258   3.307  -0.460  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1        9.034   4.082   0.576  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1        8.271   1.231  -1.411  0.00  0.00    +0.029 A 
ATOM     17  S   LIG    1        7.744   3.627   1.604  0.00  0.00    -0.075 S 
ATOM     18  C   LIG    1        7.292   0.234  -1.285  0.00  0.00    +0.012 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -1.949  -1.851   0.257  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1       -0.879  -2.342  -0.469  0.00  0.00    +0.126 A 
ATOM     21  N   LIG    1        0.411  -2.002  -0.224  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1        0.674  -1.177   0.812  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -0.358  -0.674   1.611  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -1.683  -1.015   1.336  0.00  0.00    +0.018 A 
BRANCH  19  29
ATOM     25  N   LIG    1       -6.484   0.471   0.081  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -6.681  -0.691  -0.799  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -5.667  -1.812  -0.493  0.00  0.00    +0.123 C 
ATOM     28  N   LIG    1       -4.301  -1.331  -0.280  0.00  0.00    -0.295 N 
ATOM     29  C   LIG    1       -3.314  -2.288  -0.076  0.00  0.00    +0.248 C 
ATOM     30  O   LIG    1       -3.522  -3.497  -0.141  0.00  0.00    -0.270 OA
ATOM     31  C   LIG    1       -4.066   0.064  -0.654  0.00  0.00    +0.123 C 
ATOM     32  C   LIG    1       -5.120   1.023  -0.052  0.00  0.00    +0.103 C 
BRANCH  25  34
ATOM     33  C   LIG    1       -7.497   2.564   0.966  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1       -7.533   1.478  -0.104  0.00  0.00    +0.081 C 
ENDBRANCH  25  34
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 5