REMARK  Name = BDB015175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.240  -1.435  -0.171  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        1.986  -1.018  -0.652  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        0.901  -1.899  -0.749  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.060  -3.227  -0.360  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.289  -3.663   0.134  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.363  -2.776   0.230  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        9.124   1.560   2.427  0.00  0.00    +0.172 C 
ATOM      8  N   LIG    1        7.974   1.213   1.626  0.00  0.00    -0.272 N 
ATOM      9  N   LIG    1        7.180   0.197   2.027  0.00  0.00    -0.151 NA
ATOM     10  C   LIG    1        6.234   0.142   1.087  0.00  0.00    +0.182 A 
ATOM     11  C   LIG    1        6.448   1.138   0.089  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.690   1.389  -1.039  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.616   0.488  -1.080  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.393  -0.508  -0.074  0.00  0.00    +0.074 A 
ATOM     15  N   LIG    1        5.188  -0.716   1.025  0.00  0.00    -0.226 NA
ATOM     16  C   LIG    1        7.579   1.815   0.461  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  O   LIG    1       -0.246  -1.333  -1.235  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.402  -2.171  -1.326  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.605  -1.367  -1.843  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.427  -1.049  -3.232  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.977  -0.252  -3.375  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.829  -0.058  -1.053  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.918   0.755  -1.651  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.264   0.225  -1.348  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.746   0.469   0.067  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.214   1.517   0.841  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -5.702   1.744   2.134  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.728   0.952   2.649  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.271  -0.073   1.878  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.077   2.353   0.308  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.786  -0.312   0.592  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.854   2.159  -1.200  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7