REMARK  Name = BDB013094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.027  -0.458   0.288  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.349  -0.049   1.438  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -0.021  -0.009   1.527  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -0.362   0.446   2.716  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.794   0.671   3.431  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.761  -0.443   0.392  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.027  -0.836  -0.675  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.808   0.346   2.660  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.353  -0.865  -0.753  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.239  -0.454   0.308  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -3.002   0.585   0.828  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1       -4.358   0.649   0.778  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -5.038  -0.364   0.203  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1       -4.350  -1.464  -0.307  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.953  -1.510  -0.258  0.00  0.00    +0.013 A 
BRANCH  13  16
ATOM     16  N   LIG    1       -6.427  -0.314   0.175  0.00  0.00    -0.311 N 
ATOM     17  C   LIG    1       -7.042   0.815   0.893  0.00  0.00    +0.134 C 
ATOM     18  C   LIG    1       -8.572   0.697   0.805  0.00  0.00    +0.178 C 
ATOM     19  O   LIG    1       -9.085   0.719  -0.538  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1       -8.108   0.353  -1.522  0.00  0.00    +0.178 C 
ATOM     21  C   LIG    1       -7.131  -0.736  -1.047  0.00  0.00    +0.134 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  22
ATOM     22  N   LIG    1        3.403  -0.460   0.245  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        3.687  -1.026  -0.553  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.112   0.815   0.173  0.00  0.00    +0.143 C 
BRANCH  24  27
ATOM     25  F   LIG    1        5.529   0.922   2.608  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        6.234   0.619   1.508  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        5.588   0.570   0.265  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        6.370   0.245  -0.839  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.992   0.037  -2.258  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        7.385   0.013  -2.887  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        8.352  -0.343  -1.874  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        7.727  -0.018  -0.698  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        8.366   0.023   0.525  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1        7.603   0.353   1.645  0.00  0.00    +0.042 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5