REMARK  Name = BDB036850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.300  -0.737   1.336  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.546  -0.343  -0.050  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.459   0.044  -0.935  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        0.235   0.655  -1.978  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.941  -0.196  -0.504  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.884  -1.326  -0.054  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.507  -2.452   0.266  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.228  -1.030  -0.076  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.848  -1.775   0.215  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.817   0.197  -0.253  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.027   0.342  -0.112  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.909   1.328  -0.670  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.515   1.160  -0.088  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.866  -0.291  -0.630  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        2.829   0.713  -0.727  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        4.158   0.388  -0.467  0.00  0.00    +0.144 A 
ATOM     17  N   LIG    1        4.531  -0.885  -0.145  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1        3.577  -1.841  -0.093  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        2.240  -1.598  -0.331  0.00  0.00    +0.033 A 
BRANCH  16  20
ATOM     20  C   LIG    1        5.217   1.478  -0.580  0.00  0.00    +0.434 C 
ATOM     21  F   LIG    1        5.510   1.791  -1.875  0.00  0.00    -0.164 F 
ATOM     22  F   LIG    1        6.405   1.168   0.011  0.00  0.00    -0.164 F 
ATOM     23  F   LIG    1        4.817   2.651  -0.003  0.00  0.00    -0.164 F 
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 3