REMARK  Name = BDB047287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.123  -1.221  -0.039  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.435  -0.181   0.863  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        1.183  -0.730   1.541  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.230  -1.234   0.555  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -1.127  -0.993   0.747  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.554  -0.386   1.728  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.772  -1.999  -0.568  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        2.216  -2.428  -0.337  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.436  -1.679   0.596  0.00  0.00    +0.168 C 
ATOM     10  O   LIG    1        4.500  -2.695   1.286  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1        7.973   0.592   0.048  0.00  0.00    +0.214 A 
ATOM     12  N   LIG    1        6.809   1.121  -0.389  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1        5.690   0.377  -0.200  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        5.677  -0.876   0.399  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        6.900  -1.388   0.842  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        8.066  -0.645   0.664  0.00  0.00    +0.068 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.977   2.554  -0.735  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        9.153   1.288  -0.108  0.00  0.00    -0.480 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -2.070  -1.525  -0.325  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.523  -1.077  -0.136  0.00  0.00    +0.015 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.726   0.408  -0.473  0.00  0.00    +0.055 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.143   0.930  -0.378  0.00  0.00    +0.036 A 
ATOM     23  N   LIG    1       -5.323   2.247  -0.780  0.00  0.00    -0.323 N 
ATOM     24  H   LIG    1       -4.530   2.793  -1.095  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.529   2.930  -0.780  0.00  0.00    +0.273 A 
ATOM     26  O   LIG    1       -6.593   4.097  -1.156  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -7.652   2.155  -0.315  0.00  0.00    +0.114 A 
ATOM     28  N   LIG    1       -7.467   0.847   0.085  0.00  0.00    -0.314 N 
ATOM     29  C   LIG    1       -8.674   0.326   0.483  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1       -9.610   1.316   0.327  0.00  0.00    +0.142 A 
ATOM     31  F   LIG    1      -10.910   1.194   0.609  0.00  0.00    -0.204 F 
ATOM     32  C   LIG    1       -8.989   2.471  -0.172  0.00  0.00    +0.071 A 
ATOM     33  C   LIG    1       -6.217   0.240   0.052  0.00  0.00    +0.112 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7