REMARK  Name = BDB028597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.708   0.543   0.584  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.988  -0.647   0.238  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.386  -0.539   0.117  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.872  -1.799  -0.143  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.239  -2.605  -0.218  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        1.073   0.674   0.288  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.418   1.752   0.617  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.385  -1.888   0.010  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.953   1.655   0.744  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.530   2.058   2.873  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -3.942   1.231   1.710  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -3.136   0.576   0.739  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -4.036  -0.084  -0.069  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1       -5.277   0.201   0.422  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1       -5.247   1.018   1.492  0.00  0.00    -0.176 NA
BRANCH  14  16
ATOM     16  C   LIG    1       -6.560  -0.278  -0.081  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1       -6.670  -1.799   0.023  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1       -6.819   0.204  -1.507  0.00  0.00    +0.032 C 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1       -0.269  -4.011  -0.482  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1       -0.250  -5.151  -0.705  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1        2.442   0.740   0.137  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.736   1.643   0.514  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.015   0.622  -1.203  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.497   0.860  -1.152  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.368   0.048  -0.430  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.090  -1.111   0.452  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        6.514  -1.637   0.631  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        7.449  -0.566   0.372  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        6.732   0.311  -0.400  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        7.295   1.375  -1.075  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        6.446   2.192  -1.820  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        5.069   1.930  -1.854  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        4.286   2.741  -2.579  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6