REMARK  Name = BDB040745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.617   0.892   1.735  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.483   1.582   1.179  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.351   0.966   2.319  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1        0.787  -0.067   2.410  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        5.358   0.169  -0.145  0.00  0.00    -0.000 A 
ATOM      6  C   LIG    1        4.538   1.231  -0.538  0.00  0.00    +0.129 A 
ATOM      7  F   LIG    1        4.941   2.054  -1.518  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        3.309   1.474   0.072  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        2.854   0.650   1.105  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        3.679  -0.404   1.519  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        4.915  -0.645   0.905  0.00  0.00    +0.009 A 
BRANCH   5  18
ATOM     12  O   LIG    1       10.502  -1.631  -1.218  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        9.383  -1.149  -1.071  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        8.256  -1.872  -1.369  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        8.410  -2.819  -1.689  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        6.939  -1.480  -1.273  0.00  0.00    +0.227 C 
ATOM     17  O   LIG    1        6.046  -2.263  -1.589  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.698  -0.041  -0.822  0.00  0.00    +0.108 C 
ATOM     19  C   LIG    1        7.834   0.423   0.096  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1        9.168   0.273  -0.618  0.00  0.00    +0.097 C 
ENDBRANCH   5  18
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  N   LIG    1       -1.663   0.420   1.933  0.00  0.00    -0.275 N 
ATOM     22  H   LIG    1       -1.893  -0.559   2.025  0.00  0.00    +0.152 HD
ATOM     23  C   LIG    1       -2.660   1.194   1.422  0.00  0.00    +0.401 C 
ATOM     24  O   LIG    1       -2.587   2.397   1.222  0.00  0.00    -0.226 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.739   0.416   1.167  0.00  0.00    -0.450 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.856   1.125   0.614  0.00  0.00    +0.237 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.973   0.124   0.373  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1       -7.210   0.652  -0.415  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -7.199  -0.672  -1.147  0.00  0.00    -0.029 C 
ATOM     30  C   LIG    1       -7.634  -0.720  -2.588  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -8.972  -1.312  -2.074  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -8.238  -1.705  -0.766  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -5.758  -0.908  -0.777  0.00  0.00    +0.013 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   3  21
TORSDOF 6