REMARK  Name = BDB042524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.923   2.235  -1.252  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.324   1.224  -1.621  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.011   1.003  -1.291  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.887   0.063  -1.991  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.854  -0.621  -1.023  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -3.510   0.370  -0.095  0.00  0.00    -0.040 C 
ATOM      7  C   LIG    1       -2.951   1.579   0.105  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.674   2.054  -0.527  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.752  -0.034   0.592  0.00  0.00    -0.004 A 
ATOM     10  C   LIG    1       -5.844   0.828   0.720  0.00  0.00    +0.122 A 
ATOM     11  N   LIG    1       -7.015   0.513   1.323  0.00  0.00    -0.227 NA
ATOM     12  C   LIG    1       -7.110  -0.733   1.827  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -8.257  -1.073   2.431  0.00  0.00    -0.184 F 
ATOM     14  C   LIG    1       -6.098  -1.673   1.754  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.906  -1.318   1.125  0.00  0.00    +0.014 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        1.007   0.165  -2.474  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.523   0.361  -2.570  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.246  -0.081  -1.320  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.420  -1.434  -1.141  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        3.077  -2.090  -1.832  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.055  -2.019  -0.064  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.155  -3.238   0.010  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        4.588  -1.095   0.965  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        4.420   0.287   0.778  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1        4.914   1.179   1.738  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.571   0.698   2.873  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.737  -0.675   3.052  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        5.245  -1.566   2.099  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1        5.426  -2.876   2.314  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        3.727   0.784  -0.413  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4