REMARK  Name = BDB022027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.344   0.397  -1.686  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.546   1.153  -0.689  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -1.396   0.200   0.145  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -2.187  -0.679  -0.714  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -3.414  -1.222  -0.291  0.00  0.00    +0.282 C 
ATOM      6  O   LIG    1       -3.745  -2.362  -0.622  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.402  -1.474  -1.653  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.492  -0.594  -2.509  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.302  -0.399   0.516  0.00  0.00    +0.189 A 
ATOM     10  O   LIG    1       -4.247   0.970   0.450  0.00  0.00    -0.458 OA
ATOM     11  C   LIG    1       -5.222   1.455   1.261  0.00  0.00    +0.196 A 
ATOM     12  C   LIG    1       -5.925   0.426   1.840  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -5.345  -0.767   1.349  0.00  0.00    +0.054 A 
ENDBRANCH   5   9
BRANCH   1  15
ATOM     14  O   LIG    1        1.613  -1.504  -0.909  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        1.522  -0.284  -0.980  0.00  0.00    +0.220 C 
ATOM     16  N   LIG    1        2.421   0.631  -0.455  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        2.245   1.607  -0.656  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.589   0.360   0.288  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        4.367   1.463   0.676  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        5.537   1.283   1.418  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        5.929   0.000   1.775  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1        7.050  -0.174   2.486  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        5.173  -1.103   1.403  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        4.002  -0.923   0.659  0.00  0.00    +0.026 A 
ENDBRANCH  16  18
ENDBRANCH   1  15
TORSDOF 3