REMARK  Name = BDB052915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.749  -2.113  -2.681  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.419  -1.831  -1.356  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -0.572  -1.266  -0.185  0.00  0.00    +0.134 C 
ATOM      4  C   LIG    1       -1.425  -0.529   0.888  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1       -2.731  -1.217   1.006  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -3.223  -1.956  -0.038  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -4.434  -2.428   0.376  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1       -5.083  -3.002  -0.148  0.00  0.00    +0.191 HD
ATOM      9  N   LIG    1       -4.743  -2.061   1.640  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1       -3.704  -1.305   2.014  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -2.674  -2.188  -1.248  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.610   0.925   0.586  0.00  0.00    +0.113 A 
ATOM     13  O   LIG    1       -0.934   1.791   1.396  0.00  0.00    -0.467 OA
ATOM     14  C   LIG    1       -1.207   3.045   0.953  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1       -2.054   2.999  -0.129  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -2.316   1.630  -0.369  0.00  0.00    +0.045 A 
ENDBRANCH   4  12
BRANCH   3  17
ATOM     17  C   LIG    1        0.640  -0.431  -0.581  0.00  0.00    +0.227 C 
ATOM     18  N   LIG    1        1.607  -0.381   0.416  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        1.420  -0.884   1.274  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        0.716   0.117  -1.675  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.828   0.327   0.391  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.642   0.230   1.531  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        4.867   0.900   1.591  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.279   1.668   0.511  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        6.453   2.311   0.567  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.489   1.778  -0.624  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        3.262   1.108  -0.684  0.00  0.00    +0.026 A 
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 3