REMARK  Name = BDB040762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.174   2.479  -0.774  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -0.971   2.906   0.164  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.801   1.964  -0.533  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.669   1.208  -1.001  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.047   1.456  -0.116  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.874   2.191   0.740  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -5.111   1.686   1.141  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -5.870   2.430   1.959  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.573   0.446   0.705  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.749  -0.273  -0.161  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -5.152  -1.466  -0.624  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.510   0.217  -0.572  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.914  -0.086   1.159  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -6.795  -1.437   1.860  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -5.841  -1.751   2.569  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -7.867  -2.289   1.732  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -7.788  -3.169   2.222  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.085  -2.032   1.156  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1      -10.011  -2.832   1.246  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -9.242  -0.688   0.488  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.904  -0.164  -0.008  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.466   1.517  -0.670  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.478   2.277  -0.119  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.717   2.714   0.760  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.381   0.916  -1.729  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.546   1.531   0.148  0.00  0.00    -0.444 OA
BRANCH  26  29
ATOM     27  C   LIG    1        6.236  -0.197  -0.811  0.00  0.00    +0.058 C 
ATOM     28  C   LIG    1        4.775  -0.721  -0.612  0.00  0.00    +0.064 C 
ATOM     29  C   LIG    1        4.659   0.795  -0.304  0.00  0.00    +0.118 C 
ATOM     30  C   LIG    1        5.543   1.028  -1.545  0.00  0.00    +0.064 C 
ATOM     31  C   LIG    1        5.995   0.639   0.483  0.00  0.00    +0.064 C 
BRANCH  27  34
ATOM     32  C   LIG    1        9.351  -2.405  -0.979  0.00  0.00    +0.131 C 
ATOM     33  N   LIG    1        8.063  -1.883  -0.547  0.00  0.00    -0.307 N 
ATOM     34  C   LIG    1        7.460  -0.888  -1.322  0.00  0.00    +0.222 C 
ATOM     35  O   LIG    1        7.937  -0.565  -2.420  0.00  0.00    -0.275 OA
ATOM     36  C   LIG    1        7.679  -2.187   0.819  0.00  0.00    +0.131 C 
ENDBRANCH  27  34
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6