REMARK  Name = BDB061901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.463  -0.452  -0.868  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.665  -1.806  -1.126  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.731  -2.233  -1.818  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.748  -2.757  -0.686  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.394  -2.356   0.009  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.629  -0.997   0.262  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.301  -0.048  -0.191  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.467   0.704  -0.170  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        4.832   1.303  -1.437  0.00  0.00    +0.141 C 
ATOM     10  N   LIG    1        3.755   0.332  -1.274  0.00  0.00    -0.292 N 
ATOM     11  C   LIG    1        2.406   0.595  -1.325  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1        1.956   1.675  -1.701  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        4.518  -0.498  -0.350  0.00  0.00    +0.141 C 
BRANCH   8  15
ATOM     14  C   LIG    1        7.456  -0.169   0.917  0.00  0.00    +0.194 C 
ATOM     15  O   LIG    1        6.888   0.438  -0.235  0.00  0.00    -0.377 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   6  16
ATOM     16  C   LIG    1       -1.886  -0.556   0.979  0.00  0.00    +0.093 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.127  -0.426   0.101  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -4.371   0.110   0.716  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -5.492   0.226  -0.103  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -6.699   0.724   0.405  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -6.782   1.106   1.743  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.665   0.988   2.569  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.399  -0.187  -1.512  0.00  0.00    +0.272 A 
ATOM     24  O   LIG    1       -6.360  -0.101  -2.268  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -4.182  -0.675  -1.916  0.00  0.00    -0.242 N 
ATOM     26  H   LIG    1       -4.091  -0.958  -2.887  0.00  0.00    +0.192 HD
ATOM     27  C   LIG    1       -4.460   0.491   2.061  0.00  0.00    +0.010 A 
ATOM     28  N   LIG    1       -3.070  -0.797  -1.145  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 4