REMARK  Name = BDB031104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.707   1.308   0.138  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.815   0.532   0.108  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.993   1.104  -0.203  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -3.085   2.461  -0.502  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.943   3.256  -0.448  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.730   2.672  -0.111  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.383   0.504  -0.865  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.968  -0.196   0.214  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        2.603  -0.144   0.622  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        1.737   0.672  -0.106  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1        0.501   0.591   0.512  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        0.681  -0.347   1.515  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        2.152   1.377  -1.239  0.00  0.00    +0.097 A 
ATOM     14  N   LIG    1        1.981  -0.768   1.597  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        3.436   1.309  -1.627  0.00  0.00    +0.064 A 
BRANCH   7  16
ATOM     16  O   LIG    1        5.649   0.568  -1.388  0.00  0.00    -0.489 OA
BRANCH  16  18
ATOM     17  C   LIG    1        8.012   0.597  -1.143  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        6.725  -0.122  -0.743  0.00  0.00    +0.167 C 
ATOM     19  C   LIG    1        6.775  -1.576  -1.205  0.00  0.00    +0.051 C 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1       -4.168   0.333  -0.263  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -4.876   0.794   0.299  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.013  -1.100   0.088  0.00  0.00    +0.119 C 
ATOM     23  C   LIG    1       -5.168  -1.918  -0.505  0.00  0.00    +0.189 C 
ATOM     24  F   LIG    1       -4.811  -3.241  -0.490  0.00  0.00    -0.243 F 
ATOM     25  C   LIG    1       -6.495  -1.786   0.243  0.00  0.00    +0.054 C 
ATOM     26  C   LIG    1       -6.385  -1.057   1.579  0.00  0.00    +0.084 C 
ATOM     27  N   LIG    1       -5.221  -1.477   2.332  0.00  0.00    -0.314 NA
ATOM     28  H   LIG    1       -5.174  -1.019   3.241  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -3.942  -1.327   1.619  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5