REMARK  Name = BDB034530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.897  -0.825   0.582  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.728  -1.660  -0.511  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.526  -2.444  -0.984  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.389  -1.394  -1.043  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.814  -0.373  -0.287  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.540   0.093  -0.581  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        0.852  -0.491  -1.651  0.00  0.00    +0.156 A 
ATOM      8  C   LIG    1        1.471  -1.514  -2.406  0.00  0.00    +0.166 A 
ATOM      9  F   LIG    1        0.815  -2.064  -3.439  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        2.747  -1.982  -2.111  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        3.761   0.068   0.783  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        9.213   1.341   3.224  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        8.351   0.699   2.632  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        7.261   0.199   3.297  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.199   0.454   4.274  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.101  -0.290   2.740  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        5.096  -0.423   3.434  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        6.185  -0.671   1.253  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        7.063   0.344   0.519  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        8.442   0.389   1.158  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   7  21
ATOM     21  O   LIG    1       -0.399  -0.134  -2.077  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -1.261   0.611  -1.199  0.00  0.00    +0.191 C 
ATOM     23  C   LIG    1       -2.724   0.107  -1.441  0.00  0.00    +0.097 C 
ATOM     24  C   LIG    1       -3.134   0.486  -2.889  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -3.003   1.982  -3.174  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -1.591   2.481  -2.897  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -1.125   2.115  -1.490  0.00  0.00    +0.046 C 
BRANCH  23  28
ATOM     28  N   LIG    1       -3.669   0.689  -0.452  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1       -3.476   0.116   0.906  0.00  0.00    +0.090 C 
ATOM     30  C   LIG    1       -4.632  -0.858   0.658  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -5.011   0.051  -0.514  0.00  0.00    +0.090 C 
BRANCH  30  32
ATOM     32  C   LIG    1       -5.595  -0.955   1.844  0.00  0.00    -0.005 C 
ATOM     33  C   LIG    1       -6.258   0.344   2.350  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -7.556  -0.478   2.512  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1       -7.005  -1.432   1.430  0.00  0.00    +0.004 C 
ENDBRANCH  30  32
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 5