REMARK  Name = BDB017718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.067  -1.118   1.841  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -1.697  -1.776   0.776  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.792  -1.191   0.128  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.300   0.055   0.523  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -4.468   0.607  -0.201  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -5.004   1.825   0.191  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.394   2.393   0.779  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.926   2.559  -0.658  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.918   1.578  -1.275  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.191   0.437  -1.997  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.001  -0.081  -1.230  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.441  -1.391  -1.658  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.903  -2.018  -2.606  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.659   0.699   1.588  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1       -3.070   1.907   2.009  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1       -3.380  -1.871  -0.944  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.020  -2.765  -1.250  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.565   0.127   2.242  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        0.119  -1.740   2.546  0.00  0.00    +0.119 C 
BRANCH  19  23
ATOM     20  N   LIG    1        3.513  -0.267   0.299  0.00  0.00    -0.325 N 
ATOM     21  C   LIG    1        3.278   0.262   1.666  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        1.817  -0.003   2.109  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        1.449  -1.427   2.017  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        1.686  -1.919   0.647  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        3.151  -1.699   0.196  0.00  0.00    +0.120 C 
BRANCH  20  30
ATOM     26  C   LIG    1        7.126   1.126  -1.457  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.948  -0.242  -1.262  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        5.768  -0.717  -0.684  0.00  0.00    +0.146 A 
ATOM     29  F   LIG    1        5.671  -2.045  -0.518  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        4.732   0.145  -0.272  0.00  0.00    +0.066 A 
ATOM     31  C   LIG    1        4.938   1.520  -0.497  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        6.116   2.008  -1.076  0.00  0.00    +0.021 A 
BRANCH  26  34
ATOM     33  N   LIG    1        9.312   2.021  -2.528  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        8.334   1.620  -2.050  0.00  0.00    +0.099 C 
ENDBRANCH  26  34
ENDBRANCH  20  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4