REMARK  Name = BDB001525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.001  -0.369   0.597  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.279  -0.522   0.224  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.061  -1.405   0.879  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1       -0.565  -2.149   1.930  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        0.750  -1.921   2.258  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.542  -1.051   1.609  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.387  -3.109   2.706  0.00  0.00    +0.422 C 
ATOM      8  F   LIG    1       -2.195  -2.506   3.619  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.204  -3.868   1.918  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -0.639  -4.004   3.412  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.723   0.551  -0.155  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        1.125   0.918  -0.880  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        5.670   2.023  -0.178  0.00  0.00    +0.117 A 
ATOM     14  C   LIG    1        5.302   1.099   0.788  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        3.995   0.598   0.812  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        3.043   1.012  -0.126  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.446   1.950  -1.093  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        4.751   2.456  -1.124  0.00  0.00    +0.047 A 
BRANCH  13  19
ATOM     19  O   LIG    1        6.952   2.485  -0.166  0.00  0.00    -0.507 OA
ATOM     20  H   LIG    1        7.061   3.116  -0.895  0.00  0.00    +0.292 HD
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  21
ATOM     21  N   LIG    1       -2.414  -1.556   0.493  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1       -2.645  -2.538   0.354  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.195  -0.723  -0.340  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -2.972   0.655  -0.461  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -3.803   1.457  -1.251  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -4.881   0.882  -1.911  0.00  0.00    +0.117 A 
ATOM     27  C   LIG    1       -5.145  -0.474  -1.785  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -4.312  -1.270  -0.993  0.00  0.00    +0.027 A 
BRANCH  26  29
ATOM     29  O   LIG    1       -5.718   1.624  -2.689  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1       -5.417   2.548  -2.674  0.00  0.00    +0.292 HD
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 7