REMARK  Name = BDB016175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.288  -2.436   0.075  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.658  -0.959   0.233  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.481  -0.167  -0.071  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.907  -0.517  -0.837  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.446   1.229   0.022  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -2.563   2.058   0.285  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.375   3.441   0.491  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.120   4.031   0.391  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.019   3.242   0.101  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -3.919   1.668   0.326  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.589   2.367   0.625  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.555   0.541  -0.088  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.784   0.487   0.008  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.162   1.854  -0.059  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1       -3.786  -0.586  -0.700  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.091   1.111  -0.301  0.00  0.00    +0.133 C 
ATOM     17  C   LIG    1        1.522   0.120   0.496  0.00  0.00    +0.047 C 
ATOM     18  F   LIG    1        1.834   1.518  -1.355  0.00  0.00    -0.205 F 
BRANCH  17  19
ATOM     19  C   LIG    1        2.761  -0.648   0.318  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        2.770  -2.002   0.683  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        3.934  -2.768   0.560  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        5.109  -2.186   0.080  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        5.115  -0.833  -0.271  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        3.950  -0.069  -0.147  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.303  -2.969  -0.046  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1        7.269  -3.605  -0.147  0.00  0.00    -0.191 NA
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH  14  16
TORSDOF 3