REMARK  Name = BDB061076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.572   3.009  -0.694  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        3.586   2.215   0.243  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1        2.376   1.820   1.068  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1        1.823   0.383   0.914  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1        0.391   0.662   0.755  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.219   2.008   0.709  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1       -0.449  -0.403   0.579  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1       -0.053  -1.552   0.115  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1        1.245  -1.610  -0.331  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1        2.210  -0.688  -0.090  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1        3.568  -0.920  -0.678  0.00  0.00    -0.011 A 
ATOM     12  C   LIG    1        4.804  -0.578  -0.081  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1        6.025  -0.946  -0.705  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        6.044  -1.613  -1.923  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.845  -1.887  -2.545  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        4.842  -2.493  -3.740  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.926   0.329   1.116  0.00  0.00    +0.140 C 
ATOM     18  C   LIG    1        3.635  -1.542  -1.949  0.00  0.00    +0.047 A 
ATOM     19  N   LIG    1        1.241   2.791   0.855  0.00  0.00    -0.261 NA
ATOM     20  N   LIG    1        4.793   1.688   0.642  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        5.532   2.017   0.030  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  22
ATOM     22  N   LIG    1       -1.751  -0.163   0.920  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -1.870   0.506   1.671  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.723  -1.240   0.969  0.00  0.00    +0.142 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.098  -0.662   1.137  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.757  -0.003   0.103  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.345   0.214  -1.305  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.404   1.238  -1.716  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.548   1.114  -0.839  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.033   0.515   0.281  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.710   0.409   1.479  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.064  -0.232   2.536  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.774  -0.754   2.360  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.184  -1.359   3.401  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 3