REMARK  Name = BDB057167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.195  -0.482  -0.230  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1        3.154  -1.373   0.183  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        2.980  -2.307   0.521  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.385  -0.779   0.064  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        4.113   0.494  -0.432  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        5.184   1.380  -0.672  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        6.492   0.943  -0.400  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        6.717  -0.336   0.095  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        7.974  -0.726   0.345  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.676  -1.233   0.341  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        2.752   0.653  -0.605  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.127  -0.151  -0.617  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -1.683  -0.580  -0.404  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -1.274  -1.856  -0.059  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1        0.147  -1.950   0.067  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        0.786  -0.763  -0.242  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -2.255  -2.974   0.092  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -3.702  -2.457   0.125  0.00  0.00    +0.086 C 
ATOM     19  S   LIG    1       -0.347   0.435  -0.712  0.00  0.00    -0.088 S 
ATOM     20  N   LIG    1       -3.977  -1.361  -0.821  0.00  0.00    -0.308 NA
ATOM     21  H   LIG    1       -3.774  -1.706  -1.760  0.00  0.00    +0.123 HD
BRANCH  12  23
ATOM     22  C   LIG    1       -5.208   1.130   0.122  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -3.715   0.868   0.440  0.00  0.00    -0.018 C 
ATOM     24  C   LIG    1       -3.005   2.240   0.342  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.616   0.402   1.904  0.00  0.00    +0.012 C 
ENDBRANCH  12  23
ENDBRANCH   1  16
BRANCH   6  26
ATOM     26  C   LIG    1        4.972   2.748  -1.198  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        5.914   3.504  -1.402  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1        3.688   3.135  -1.447  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        3.514   4.063  -1.805  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        2.901   2.511  -1.278  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 3