REMARK  Name = BDB015044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.217   0.553   0.643  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.149   0.365  -0.838  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -0.554   1.604  -1.434  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        0.168   2.243  -1.312  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1       -1.224  -0.728  -1.067  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1       -2.471  -0.613  -0.278  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1       -3.237   0.598  -0.643  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1       -4.636   0.649  -0.058  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1       -5.260  -0.505   0.445  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -6.560  -0.428   0.961  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -7.250   0.783   0.954  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.644   1.927   0.438  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.503  -1.806   0.481  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -5.346   1.860  -0.067  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.308  -1.808  -0.480  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.770  -0.631   1.217  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.106  -0.880   1.082  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.037  -0.091   0.403  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        4.395  -0.461   0.334  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        4.796  -1.647   0.969  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        3.872  -2.441   1.648  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        2.534  -2.056   1.701  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.368   0.375  -0.383  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        6.537   0.839   0.234  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        7.425   1.632  -0.481  0.00  0.00    +0.142 A 
ATOM     26  F   LIG    1        8.543   2.083   0.100  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        7.136   1.951  -1.795  0.00  0.00    +0.149 A 
ATOM     28  N   LIG    1        6.023   1.528  -2.436  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        5.175   0.751  -1.717  0.00  0.00    +0.119 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7