REMARK  Name = BDB042497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315   2.320  -1.202  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.421   0.836   0.312  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1       -2.462  -0.130  -0.341  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -1.405   0.579  -1.208  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1       -0.803   1.703  -0.474  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1       -1.830   2.716  -0.175  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1       -3.109   2.144   0.373  0.00  0.00    -0.008 C 
BRANCH   2  12
ATOM      8  C   LIG    1       -7.084  -0.725   1.936  0.00  0.00    +0.087 A 
ATOM      9  C   LIG    1       -5.879  -1.393   2.126  0.00  0.00    +0.141 A 
ATOM     10  F   LIG    1       -5.841  -2.541   2.818  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1       -4.687  -0.891   1.604  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -4.679   0.308   0.879  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -5.898   0.977   0.684  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -7.093   0.468   1.209  0.00  0.00    +0.022 A 
BRANCH   8  16
ATOM     15  N   LIG    1       -9.301  -1.655   2.900  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -8.298  -1.253   2.476  0.00  0.00    +0.102 C 
ENDBRANCH   8  16
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.576   1.446  -1.275  0.00  0.00    +0.021 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.102   1.050   0.109  0.00  0.00    +0.054 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.369   0.236   0.018  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1        4.522   0.907  -0.321  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        4.495   1.905  -0.498  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        5.768   0.331  -0.443  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1        6.756   0.985  -0.752  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        5.845  -1.126  -0.178  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        4.672  -1.812   0.175  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        4.734  -3.187   0.429  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        5.955  -3.860   0.328  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        7.106  -3.159  -0.024  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        8.269  -3.815  -0.118  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.067  -1.795  -0.280  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1        3.406  -1.082   0.273  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6