REMARK  Name = BDB040742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.421   0.342  -4.314  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1        0.380   0.579  -2.810  0.00  0.00    +0.066 C 
ATOM      3  C   LIG    1       -0.735   1.541  -2.328  0.00  0.00    +0.132 C 
ATOM      4  N   LIG    1       -1.526   0.379  -2.036  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -0.375  -0.482  -1.968  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.686   0.314  -1.239  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.506   1.435  -1.068  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -4.659   1.360  -0.286  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -5.416   2.460  -0.158  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -5.042   0.178   0.344  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.226  -0.938   0.157  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -4.557  -2.106   0.728  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.070  -0.881  -0.621  0.00  0.00    +0.062 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -6.293   0.122   1.192  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1       -6.003  -0.324   2.624  0.00  0.00    +0.227 C 
ATOM     16  O   LIG    1       -4.976  -0.029   3.232  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1       -7.003  -1.022   3.261  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1       -6.811  -1.288   4.217  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -8.279  -1.261   2.818  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -9.122  -1.766   3.554  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -8.604  -0.796   1.421  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -7.359  -0.772   0.549  0.00  0.00    +0.027 C 
ENDBRANCH  10  14
ENDBRANCH   4   6
BRANCH   2  23
ATOM     23  N   LIG    1        1.730   0.939  -2.317  0.00  0.00    -0.273 N 
ATOM     24  H   LIG    1        2.008   1.899  -2.168  0.00  0.00    +0.153 HD
ATOM     25  C   LIG    1        2.696   0.022  -2.024  0.00  0.00    +0.401 C 
ATOM     26  O   LIG    1        2.575  -1.188  -2.129  0.00  0.00    -0.226 OA
BRANCH  25  27
ATOM     27  O   LIG    1        3.803   0.674  -1.592  0.00  0.00    -0.450 OA
BRANCH  27  28
ATOM     28  C   LIG    1        4.920  -0.159  -1.239  0.00  0.00    +0.237 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.800  -0.579   0.221  0.00  0.00    +0.028 C 
ATOM     30  C   LIG    1        4.970   0.553   1.279  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        6.365   0.040   1.516  0.00  0.00    -0.029 C 
ATOM     32  C   LIG    1        7.545   0.853   1.029  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        8.304   0.329   2.274  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1        6.929   0.009   2.915  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        6.063  -1.267   0.819  0.00  0.00    +0.013 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  23
TORSDOF 6