REMARK  Name = BDB013122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.715   0.209   0.551  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.806   0.835  -0.314  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        0.496   0.426  -0.471  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        1.096   1.216  -1.339  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.176   2.147  -1.771  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.920  -0.701   0.285  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -0.011  -1.248   1.099  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.959   1.897  -1.158  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -1.319  -0.828   1.240  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.291  -1.262   0.256  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1        3.400  -0.408   0.302  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.697  -0.924   0.248  0.00  0.00    +0.122 A 
ATOM     13  N   LIG    1        4.906  -2.255   0.170  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        3.833  -3.072   0.115  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        2.523  -2.632   0.147  0.00  0.00    +0.028 A 
BRANCH  12  16
ATOM     16  N   LIG    1        5.792  -0.038   0.282  0.00  0.00    -0.311 N 
ATOM     17  C   LIG    1        5.763   0.904  -0.867  0.00  0.00    +0.134 C 
ATOM     18  C   LIG    1        7.177   1.410  -1.193  0.00  0.00    +0.178 C 
ATOM     19  O   LIG    1        8.087   0.358  -1.555  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1        7.816  -0.883  -0.875  0.00  0.00    +0.178 C 
ATOM     21  C   LIG    1        7.108  -0.689   0.473  0.00  0.00    +0.134 C 
ENDBRANCH  12  16
ENDBRANCH   6  10
BRANCH   1  22
ATOM     22  N   LIG    1       -3.000   0.701   0.642  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.145   1.679   0.413  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.906   0.232   1.679  0.00  0.00    +0.143 C 
BRANCH  24  27
ATOM     25  F   LIG    1       -5.141   2.326   3.139  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -5.849   1.776   2.142  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1       -5.291   0.733   1.391  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.070   0.216   0.360  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.750  -0.821  -0.650  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.151  -1.052  -1.219  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.961   0.119  -0.964  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.336   0.722   0.095  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.885   1.755   0.828  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -7.127   2.285   1.872  0.00  0.00    +0.042 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5