REMARK  Name = BDB016207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.161   1.295   0.715  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        2.134   0.704  -0.165  0.00  0.00    +0.059 A 
ATOM      3  N   LIG    1        1.889  -0.607  -0.595  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.294  -1.116   0.059  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        2.895  -1.477  -1.182  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        3.385  -0.926  -2.498  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        4.419   0.140  -2.347  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.230   1.184  -1.506  0.00  0.00    -0.282 N 
ATOM      9  H   LIG    1        4.970   1.875  -1.599  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        5.442   0.119  -3.037  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        3.974  -1.875  -0.179  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.210   1.515  -0.590  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1        3.345   2.813  -0.056  0.00  0.00    +0.146 A 
ATOM     14  F   LIG    1        4.393   3.569  -0.430  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1        2.433   3.360   0.831  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        1.335   2.606   1.204  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -2.378  -0.854   1.969  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -2.254  -0.372   0.643  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -1.096   0.318   0.244  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -0.053   0.570   1.147  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -0.195   0.128   2.466  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -1.343  -0.562   2.870  0.00  0.00    +0.024 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -3.446  -2.562   3.366  0.00  0.00    +0.125 C 
ATOM     24  N   LIG    1       -3.567  -1.476   2.408  0.00  0.00    -0.346 N 
ATOM     25  H   LIG    1       -4.087  -1.782   1.566  0.00  0.00    +0.146 HD
ENDBRANCH  17  24
BRANCH  18  26
ATOM     26  C   LIG    1       -3.322  -0.622  -0.370  0.00  0.00    +0.044 C 
ATOM     27  N   LIG    1       -4.165  -1.603  -0.260  0.00  0.00    -0.303 NA
ATOM     28  H   LIG    1       -4.804  -1.608  -1.064  0.00  0.00    +0.186 HD
BRANCH  26  29
ATOM     29  C   LIG    1       -3.437   0.250  -1.571  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -3.688   1.733  -1.419  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.775   0.850  -1.948  0.00  0.00    +0.010 C 
ENDBRANCH  26  29
ENDBRANCH  18  26
ENDBRANCH   1  20
TORSDOF 4