REMARK  Name = BDB017654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.338  -1.971   0.877  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.072  -1.423   0.816  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.781  -1.418  -0.393  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.088  -0.927  -0.443  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.723  -0.421   0.701  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -5.106   0.101   0.576  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.720   0.691   1.679  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.060   1.139   2.309  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.959   1.447   1.526  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.875   0.725   0.545  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -7.160   0.484  -0.789  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.744   0.006  -0.609  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -5.068  -0.552  -1.811  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -5.636  -0.628  -2.897  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.018  -0.459   1.913  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.776  -0.964  -1.659  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.332  -1.336  -2.486  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.708  -0.951   1.970  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  C   LIG    1        1.171   0.991  -0.863  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1        1.572   0.087   0.312  0.00  0.00    +0.071 C 
ATOM     21  N   LIG    1        1.257  -1.315  -0.067  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        2.481  -2.126  -0.225  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        3.618  -1.395  -0.969  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1        4.013  -0.163  -0.265  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1        3.053   0.361   0.720  0.00  0.00    +0.123 C 
BRANCH  24  26
ATOM     26  C   LIG    1        5.293   0.348  -0.390  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        5.870   1.169   0.591  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1        7.162   1.682   0.449  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1        7.654   2.453   1.430  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        7.925   1.402  -0.675  0.00  0.00    +0.087 A 
ATOM     31  C   LIG    1        7.380   0.594  -1.670  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        6.084   0.080  -1.523  0.00  0.00    +0.024 A 
BRANCH  30  33
ATOM     33  C   LIG    1        9.245   1.933  -0.808  0.00  0.00    +0.102 C 
ATOM     34  N   LIG    1       10.321   2.347  -0.946  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  24  26
ENDBRANCH   1  21
TORSDOF 4