REMARK  Name = BDB060782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.117  -0.034  -0.363  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1        1.390   0.015  -0.717  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1        2.354   0.674   0.237  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.928   1.793  -0.370  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.836   2.606   0.275  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        4.187   2.267   1.583  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.636   1.131   2.202  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1        2.470   1.925  -1.670  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        2.749   2.643  -2.323  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        2.718   0.321   1.527  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.575   0.917  -1.996  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1        1.056   0.748  -3.089  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        1.799  -1.374  -1.027  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1        2.536  -1.386  -1.736  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        0.576  -2.055  -1.538  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1       -0.507  -1.522  -0.584  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -1.391   2.457   3.966  0.00  0.00    +0.071 C 
ATOM     18  C   LIG    1       -1.027   1.500   2.894  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -0.785   1.732   1.517  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -0.483   0.489   0.996  0.00  0.00    +0.174 A 
ATOM     21  O   LIG    1       -0.533  -0.420   2.011  0.00  0.00    -0.357 OA
ATOM     22  N   LIG    1       -0.875   0.203   3.190  0.00  0.00    -0.081 NA
BRANCH  19  23
ATOM     23  N   LIG    1       -0.822   2.972   0.810  0.00  0.00    +0.062 N 
ATOM     24  O   LIG    1       -0.447   2.965  -0.368  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -1.218   3.964   1.431  0.00  0.00    -0.126 OA
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH  16  26
ATOM     26  C   LIG    1       -1.935  -1.675  -1.072  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -2.888  -2.273  -0.233  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.213  -2.417  -0.647  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.604  -1.961  -1.903  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.672  -1.359  -2.744  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.346  -1.214  -2.332  0.00  0.00    +0.004 A 
ENDBRANCH  16  26
BRANCH  15  32
ATOM     32  C   LIG    1        0.627  -3.597  -1.565  0.00  0.00    +0.405 C 
ATOM     33  F   LIG    1        1.656  -4.019  -2.341  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1       -0.501  -4.128  -2.082  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        0.804  -4.122  -0.333  0.00  0.00    -0.169 F 
ENDBRANCH  15  32
TORSDOF 4