REMARK  Name = BDB040716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.474   1.282   0.626  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.812   2.446   0.101  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.390   2.071   0.989  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -0.638   1.257   1.799  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.619   0.364   0.414  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -4.810  -0.162   1.419  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1       -5.337  -0.986   2.336  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -3.449   0.136   1.496  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -2.850   0.986   0.560  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.651   1.505  -0.462  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.010   1.198  -0.525  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -5.737   1.714  -1.526  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1      -10.880   0.144  -1.322  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -9.735   0.109  -0.879  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -9.174   1.205  -0.276  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -9.757   2.030  -0.228  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -7.971   1.285   0.386  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1       -7.683   2.300   1.018  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.094   0.035   0.354  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -7.419  -0.825  -0.872  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -8.904  -1.150  -0.892  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1        1.427   1.258   0.316  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        1.249   0.817  -0.577  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        2.548   0.829   0.959  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        2.868   1.131   2.098  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.249   0.003   0.144  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.474  -0.505   0.722  0.00  0.00    +0.213 C 
ATOM     28  C   LIG    1        5.379  -1.292  -0.241  0.00  0.00    +0.155 C 
ATOM     29  N   LIG    1        6.499  -0.518   0.279  0.00  0.00    -0.278 N 
ATOM     30  C   LIG    1        7.691  -0.230  -0.341  0.00  0.00    +0.305 C 
ATOM     31  N   LIG    1        8.205  -1.215  -1.148  0.00  0.00    -0.285 N 
ATOM     32  C   LIG    1        9.591  -1.243  -1.618  0.00  0.00    +0.111 C 
ATOM     33  C   LIG    1        9.380  -2.737  -1.869  0.00  0.00    +0.038 C 
ATOM     34  C   LIG    1        8.154  -2.660  -0.956  0.00  0.00    +0.111 C 
ATOM     35  O   LIG    1        8.263   0.848  -0.182  0.00  0.00    -0.252 OA
ATOM     36  C   LIG    1        5.636   0.488   0.897  0.00  0.00    +0.155 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  22
TORSDOF 5