REMARK  Name = BDB035080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.632   0.278   0.507  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -1.003  -0.660   1.352  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        0.337  -0.984   1.252  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.684  -1.871   2.168  0.00  0.00    -0.217 NA
ATOM      5  C   LIG    1       -0.467  -2.145   2.863  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        1.082  -0.337   0.223  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.403   0.548  -0.538  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.527  -1.415   2.377  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -0.934   0.864  -0.426  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.528  -0.548  -0.031  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        3.014  -0.796  -1.323  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.380  -0.997  -1.548  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.293  -0.960  -0.486  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        4.806  -0.730   0.808  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.440  -0.528   1.032  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.772  -1.183  -0.727  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1        7.588   0.007  -1.008  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1        7.648   0.944   0.108  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        7.219   0.684  -2.246  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.973   0.541   0.693  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.356   0.361   1.614  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.614   1.661   0.026  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.101   1.560   0.203  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.865   0.607  -0.464  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.449  -0.476  -1.387  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.821  -0.884  -1.923  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.836  -0.488  -0.972  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -7.236   0.514  -0.257  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.907   1.349   0.613  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -7.164   2.317   1.288  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.781   2.414   1.081  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.097   3.343   1.764  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   5  33
ATOM     33  C   LIG    1       -0.488  -3.087   3.941  0.00  0.00    +0.121 C 
ATOM     34  N   LIG    1       -0.547  -3.840   4.823  0.00  0.00    -0.189 NA
ENDBRANCH   5  33
TORSDOF 7