REMARK  Name = BDB030235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.734   1.083  -0.625  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.468   0.519  -0.617  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.638   1.236  -1.226  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        1.829   0.362  -1.008  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        2.323   0.038   0.387  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        1.374  -0.889  -0.343  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.104  -0.808  -0.129  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -1.915   2.210  -1.095  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.721  -0.359   0.591  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        4.838   0.583   0.373  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1        5.968  -0.431   0.373  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1        7.200   0.091   1.105  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1        6.337  -0.893  -1.039  0.00  0.00    +0.058 C 
ATOM     14  O   LIG    1        5.451  -1.562   1.102  0.00  0.00    -0.387 OA
ATOM     15  N   LIG    1        4.037  -1.535   1.015  0.00  0.00    -0.093 NA
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1       -4.895  -0.227   0.573  0.00  0.00    -0.325 N 
ATOM     17  C   LIG    1       -4.173   0.772  -0.014  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -2.864   0.321  -0.065  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1       -2.805  -0.949   0.487  0.00  0.00    -0.231 NA
ATOM     20  C   LIG    1       -4.030  -1.245   0.855  0.00  0.00    +0.200 A 
BRANCH  16  22
ATOM     21  C   LIG    1       -6.733   0.983   1.706  0.00  0.00    +0.040 C 
ATOM     22  C   LIG    1       -6.321  -0.228   0.868  0.00  0.00    +0.189 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -7.156  -0.347  -0.397  0.00  0.00    +0.410 C 
ATOM     24  F   LIG    1       -8.468  -0.479  -0.084  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -6.814  -1.438  -1.118  0.00  0.00    -0.168 F 
ATOM     26  F   LIG    1       -7.042   0.736  -1.195  0.00  0.00    -0.168 F 
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4