REMARK  Name = BDB013857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.952   1.353   1.490  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -0.737   1.945   0.679  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.350   0.186  -0.189  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.834   0.317   1.116  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.293  -0.622   2.043  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -3.144  -1.641   1.774  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -3.596  -1.733   0.510  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -3.238  -0.854  -0.494  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -1.130   2.042  -1.139  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -1.930   1.130  -1.259  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -2.527   0.892  -2.441  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -2.155   1.574  -3.039  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1        0.284   0.960   2.170  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.205   0.192   1.247  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        1.837   0.837   0.171  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        2.672   0.129  -0.710  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        2.863  -1.245  -0.505  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.240  -1.895   0.560  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.415  -1.181   1.430  0.00  0.00    +0.005 A 
BRANCH  16  20
ATOM     20  C   LIG    1        3.312   0.828  -1.884  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        2.510   0.835  -2.984  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        4.481   0.248  -2.279  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        3.615   2.132  -1.631  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6