REMARK  Name = BDB013171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.998  -0.285   0.166  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        2.375  -0.770  -1.022  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.005  -0.874  -1.021  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.674  -1.414  -2.229  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.756  -1.562  -2.959  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.209  -0.497   0.063  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.771  -0.061   1.159  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.830  -1.152  -2.199  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.150   0.031   1.175  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.529   1.371   1.311  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.421   0.588   0.820  0.00  0.00    -0.271 N 
ATOM     12  N   LIG    1        6.664  -0.560   0.166  0.00  0.00    -0.141 NA
ATOM     13  C   LIG    1        5.444  -0.994  -0.159  0.00  0.00    +0.240 A 
ATOM     14  F   LIG    1        5.240  -2.145  -0.813  0.00  0.00    -0.182 F 
ATOM     15  C   LIG    1        4.418  -0.146   0.308  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        5.090   0.876   0.948  0.00  0.00    +0.119 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1       -1.162  -0.599   0.001  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.520  -0.532   0.953  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.906   0.342  -0.832  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.355  -0.042  -0.843  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.253   0.377   0.134  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.064   1.292   1.285  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.371   1.026   2.034  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.349   0.511   1.103  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.589  -0.004   0.085  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.091  -0.811  -0.917  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.204  -1.260  -1.895  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -3.857  -0.879  -1.849  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.032  -1.325  -2.808  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4