REMARK  Name = BDB027646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.449   0.516  -0.559  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        0.079   1.641  -1.217  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.379   1.993  -0.853  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.909   3.105  -1.489  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.286   3.863  -2.431  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.045   3.481  -2.776  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.095   1.307   0.050  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.520   0.228   0.601  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.592   2.394  -2.209  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.274  -0.194   0.325  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.308  -0.545   1.579  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.791  -1.691   2.201  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.570  -2.385   3.115  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.823  -2.025   3.456  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.317  -0.924   2.856  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.614  -0.168   1.932  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.777   0.106  -0.819  0.00  0.00    -0.306 N 
ATOM     18  C   LIG    1       -2.736   0.898  -0.040  0.00  0.00    +0.131 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -2.338  -1.948   0.557  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -1.969  -1.385  -0.821  0.00  0.00    +0.175 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.020  -1.838  -1.861  0.00  0.00    +0.408 C 
ATOM     22  F   LIG    1       -4.263  -1.398  -1.553  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1       -3.080  -3.191  -1.930  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1       -2.724  -1.390  -3.103  0.00  0.00    -0.169 F 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4