REMARK  Name = BDB020554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.889   4.723   0.156  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -3.544   3.319   0.293  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -4.440   2.478   0.944  0.00  0.00    +0.235 C 
ATOM      4  O   LIG    1       -5.538   2.864   1.352  0.00  0.00    -0.274 OA
ATOM      5  C   LIG    1       -4.023   1.035   1.163  0.00  0.00    +0.219 C 
ATOM      6  N   LIG    1       -2.894   0.638   0.351  0.00  0.00    -0.320 N 
ATOM      7  C   LIG    1       -1.987   1.552  -0.123  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -1.068   0.807  -0.827  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -1.386  -0.526  -0.755  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -2.502  -0.615  -0.054  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -2.130   2.984   0.200  0.00  0.00    +0.163 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.111   1.296  -1.514  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.411   0.822  -1.183  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.530   1.328  -1.883  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        3.816   0.876  -1.554  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        3.982  -0.057  -0.535  0.00  0.00    +0.045 A 
ATOM     17  N   LIG    1        2.934  -0.565   0.149  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        2.348   2.277  -2.901  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        1.072   2.729  -3.229  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        1.695  -0.127  -0.188  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1       -0.030   2.239  -2.539  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1       -1.242   2.701  -2.885  0.00  0.00    -0.205 F 
BRANCH  16  23
ATOM     23  C   LIG    1        5.362  -0.573  -0.187  0.00  0.00    +0.042 C 
ATOM     24  C   LIG    1        5.585  -1.978  -0.771  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        6.588  -2.780   0.050  0.00  0.00    +0.160 C 
ATOM     26  O   LIG    1        7.570  -1.910   0.605  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        7.033  -1.065   1.626  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        5.617  -0.579   1.323  0.00  0.00    +0.038 C 
ENDBRANCH  16  23
ENDBRANCH   8  12
BRANCH  10  29
ATOM     29  C   LIG    1       -3.201  -1.917   0.228  0.00  0.00    +0.059 C 
ATOM     30  C   LIG    1       -4.521  -2.059  -0.542  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -5.529  -2.909   0.224  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -4.865  -3.995   0.859  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.997  -3.591   1.919  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -3.377  -2.209   1.716  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3