REMARK  Name = BDB009044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.245   1.419  -0.371  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.307   1.209   0.649  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.770   2.092   0.842  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.877   3.216   0.016  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.055   3.433  -0.998  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.109   2.537  -1.193  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.290   0.451  -1.438  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1        2.285   0.475  -0.492  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.268  -0.290   0.172  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.446   1.202  -2.391  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.965   0.132   1.050  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.017  -0.838  -0.098  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1        4.246  -0.670  -1.267  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        4.362  -1.565  -2.336  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        5.218  -2.651  -2.222  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        5.323  -3.518  -3.238  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        5.961  -2.860  -1.067  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        5.862  -1.956  -0.007  0.00  0.00    +0.007 A 
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -1.772   1.860   1.949  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.349   0.447   1.961  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.350   0.044   0.923  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.834   1.024  -0.110  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.084   0.548  -0.857  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.962  -0.918  -1.253  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.763  -1.803  -0.021  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.788  -1.227   0.968  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.303  -2.145   2.029  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.695  -3.304   2.111  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.398  -1.617   2.909  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.060  -2.228   3.646  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.910  -0.349   2.892  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4