REMARK  Name = BDB057165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.579  -2.584  -0.286  0.00  0.00    +0.151 C 
ATOM      2  N   LIG    1        2.337  -1.412   0.083  0.00  0.00    -0.326 N 
ATOM      3  C   LIG    1        3.703  -1.388   0.281  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        4.005  -0.042   0.497  0.00  0.00    +0.102 A 
ATOM      5  C   LIG    1        5.347   0.330   0.718  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        6.344  -0.659   0.721  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        6.002  -1.987   0.506  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1        6.968  -2.916   0.516  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1        2.861   0.712   0.416  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1        4.686  -2.389   0.281  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        1.860  -0.126   0.227  0.00  0.00    +0.148 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.496   0.331   0.155  0.00  0.00    +0.055 A 
ATOM     13  S   LIG    1       -0.851  -0.573   0.692  0.00  0.00    -0.088 S 
ATOM     14  C   LIG    1       -1.974   0.623   0.228  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -3.491   0.522   0.426  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1       -4.149   1.721  -0.182  0.00  0.00    -0.308 NA
ATOM     17  H   LIG    1       -4.129   1.613  -1.195  0.00  0.00    +0.123 HD
ATOM     18  C   LIG    1       -3.456   2.975   0.155  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -2.058   3.033  -0.482  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -1.312   1.771  -0.186  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1        0.100   1.591  -0.252  0.00  0.00    +0.023 A 
BRANCH  15  22
ATOM     22  C   LIG    1       -4.199  -0.783  -0.121  0.00  0.00    -0.018 C 
ATOM     23  C   LIG    1       -3.887  -1.052  -1.608  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -5.740  -0.639   0.023  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.824  -2.040   0.697  0.00  0.00    +0.012 C 
ENDBRANCH  15  22
ENDBRANCH  11  12
BRANCH   5  26
ATOM     26  C   LIG    1        5.703   1.739   0.966  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        5.061   2.470   1.705  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1        6.826   2.197   0.327  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        6.990   3.193   0.397  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        7.219   1.713  -0.469  0.00  0.00    +0.145 HD
ENDBRANCH   5  26
TORSDOF 3