REMARK  Name = BDB017704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.008   2.270   1.112  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  14
ATOM      2  O   LIG    1       -4.909  -2.799   2.486  0.00  0.00    -0.268 OA
ATOM      3  C   LIG    1       -4.572  -1.863   1.767  0.00  0.00    +0.254 A 
ATOM      4  C   LIG    1       -5.422  -1.392   0.640  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -6.719  -2.124   0.418  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -7.665  -1.373  -0.525  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -6.905  -0.817  -1.722  0.00  0.00    +0.102 C 
ATOM      8  N   LIG    1       -5.801   0.014  -1.253  0.00  0.00    -0.343 N 
ATOM      9  H   LIG    1       -5.247   0.401  -2.012  0.00  0.00    +0.146 HD
ATOM     10  C   LIG    1       -5.034  -0.374  -0.156  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -3.764   0.334   0.134  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.960  -0.131   1.186  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -1.744   0.483   1.500  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -1.302   1.593   0.768  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -2.112   2.084  -0.264  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.329   1.463  -0.574  0.00  0.00    +0.012 A 
ATOM     17  N   LIG    1       -3.385  -1.217   1.956  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -2.820  -1.550   2.725  0.00  0.00    +0.169 HD
ENDBRANCH   1  14
BRANCH   1  19
ATOM     19  N   LIG    1        1.139   1.337   1.120  0.00  0.00    -0.292 NA
ATOM     20  C   LIG    1        1.521   0.842  -0.236  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        2.497  -0.369  -0.060  0.00  0.00    +0.124 C 
ATOM     22  N   LIG    1        3.740   0.291   0.444  0.00  0.00    -0.322 N 
ATOM     23  C   LIG    1        3.413   1.743   0.450  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1        2.494   1.898  -0.757  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        2.395   1.988   1.601  0.00  0.00    +0.107 C 
BRANCH  22  26
ATOM     26  C   LIG    1        4.926  -0.202  -0.097  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        5.849   0.547  -0.851  0.00  0.00    +0.146 A 
ATOM     28  F   LIG    1        5.606   1.830  -1.161  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1        7.031  -0.006  -1.347  0.00  0.00    +0.073 A 
ATOM     30  C   LIG    1        7.318  -1.346  -1.087  0.00  0.00    +0.129 A 
ATOM     31  C   LIG    1        6.431  -2.127  -0.340  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1        5.252  -1.550   0.146  0.00  0.00    +0.028 A 
BRANCH  30  33
ATOM     33  N   LIG    1        8.556  -1.938  -1.603  0.00  0.00    +0.057 N 
ATOM     34  O   LIG    1        8.768  -3.135  -1.361  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1        9.317  -1.207  -2.252  0.00  0.00    -0.126 OA
ENDBRANCH  30  33
ENDBRANCH  22  26
ENDBRANCH   1  19
TORSDOF 4