REMARK  Name = BDB019036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.825   0.013  -0.020  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1       -2.176  -0.238  -1.278  0.00  0.00    +0.112 A 
ATOM      3  N   LIG    1       -0.812  -0.501  -1.222  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1       -0.372  -0.707  -2.502  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1       -1.356  -0.656  -3.369  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -0.096  -0.626  -0.020  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.723  -0.531   1.117  0.00  0.00    -0.222 NA
ATOM      8  C   LIG    1       -2.486  -0.432  -2.616  0.00  0.00    +0.168 A 
ATOM      9  C   LIG    1       -2.062  -0.202   1.081  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.381   1.209   1.706  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.153   1.049   0.898  0.00  0.00    +0.056 A 
ATOM     12  N   LIG    1       -6.063   1.599  -0.348  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1       -4.871   1.267  -0.790  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -4.148   0.501   0.106  0.00  0.00    -0.302 N 
ATOM     15  C   LIG    1       -4.984   0.393   1.208  0.00  0.00    +0.115 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1        1.252  -0.898  -0.030  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.504  -1.242   0.896  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.182   0.173  -0.379  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.574  -0.378  -0.453  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.385  -0.532   0.668  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.112  -0.256   2.099  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1        5.531  -0.382   2.654  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        6.318  -1.192   1.753  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        5.654  -1.091   0.558  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        6.171  -1.520  -0.647  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.378  -1.370  -1.784  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        4.099  -0.808  -1.679  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1        3.360  -0.688  -2.792  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
BRANCH   8  29
ATOM     29  C   LIG    1       -3.765  -0.494  -3.258  0.00  0.00    +0.121 C 
ATOM     30  N   LIG    1       -4.808  -0.544  -3.767  0.00  0.00    -0.189 NA
ENDBRANCH   8  29
TORSDOF 5