REMARK  Name = BDB019054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.572  -0.194  -0.160  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        1.901  -1.420   0.082  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        0.545  -1.355   0.320  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.117  -2.647   0.490  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        1.107  -3.511   0.416  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -0.178  -0.145   0.349  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.452   0.977   0.115  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.225  -2.754   0.166  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.809   0.921  -0.139  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.159   1.458   0.977  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        6.217   0.722   0.072  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1        6.738   0.164  -1.045  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        5.894  -0.506  -1.858  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        4.540  -0.648  -1.615  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.010  -0.064  -0.465  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        4.866   0.631   0.395  0.00  0.00    +0.031 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1       -1.530  -0.181   0.620  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.870  -0.967   1.164  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.269   1.042   0.882  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.740   0.744   0.889  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.441   0.435  -0.274  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.957   0.283  -1.668  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.303   0.247  -2.393  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.330  -0.166  -1.462  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.796   0.134  -0.236  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.515   0.122   0.942  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.837   0.436   2.120  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.469   0.741   2.085  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.849   1.020   3.240  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4