REMARK  Name = BDB065194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.699   1.786  -0.051  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.604   0.633  -0.478  0.00  0.00    +0.268 C 
ATOM      3  N   LIG    1       -0.635   0.132  -0.911  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1       -1.756   1.057  -1.017  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -2.752   0.926   0.106  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.202  -0.291   0.640  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -4.104  -0.296   1.716  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.605   0.893   2.242  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.203   2.102   1.692  0.00  0.00    +0.039 A 
ATOM     10  O   LIG    1       -2.835  -1.550   0.246  0.00  0.00    -0.490 OA
ATOM     11  C   LIG    1       -2.357  -1.691  -1.090  0.00  0.00    +0.248 C 
ATOM     12  C   LIG    1       -3.293   2.108   0.638  0.00  0.00    +0.132 A 
ATOM     13  F   LIG    1       -2.939   3.295   0.123  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -0.890  -1.281  -1.196  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   2  15
ATOM     15  C   LIG    1        1.810  -0.228  -0.544  0.00  0.00    +0.155 A 
ATOM     16  C   LIG    1        3.008  -0.042   0.221  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.873  -1.046  -0.195  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1        5.160  -1.216   0.324  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        5.574  -0.314   1.310  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.733   0.708   1.749  0.00  0.00    +0.001 A 
ATOM     21  N   LIG    1        3.184  -1.733  -1.153  0.00  0.00    -0.276 N 
ATOM     22  H   LIG    1        3.510  -2.531  -1.686  0.00  0.00    +0.189 HD
ATOM     23  C   LIG    1        3.447   0.856   1.214  0.00  0.00    +0.012 A 
ATOM     24  N   LIG    1        1.948  -1.270  -1.393  0.00  0.00    -0.168 NA
ENDBRANCH   2  15
TORSDOF 1