REMARK  Name = BDB014693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.462  -0.454  -0.067  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.831  -1.301  -0.479  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.386  -2.271  -1.959  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.925  -1.342  -0.900  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.998  -0.601  -0.175  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.552  -0.904  -0.204  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.760   0.230   0.339  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.356   0.449   0.409  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.097   1.623   0.997  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.299   2.153   1.283  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.363   3.448   1.915  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.326   1.341   0.926  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.781   1.565   1.091  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.502   0.209   0.955  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -7.139  -1.255  -0.718  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.951  -0.441  -0.110  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        1.618  -1.547  -0.655  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        3.014  -1.590  -0.719  0.00  0.00    +0.133 A 
ATOM     19  F   LIG    1        3.575  -2.688  -1.250  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        3.803  -0.539  -0.242  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.141   0.568   0.301  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.739   0.612   0.365  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.255  -0.591  -0.316  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        6.125   0.134   0.476  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        7.386  -0.215   0.087  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.630   0.277   0.627  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.409  -1.120  -0.905  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.115  -1.353  -1.145  0.00  0.00    +0.143 A 
ENDBRANCH  20  23
ENDBRANCH   1  16
TORSDOF 3