REMARK  Name = BDB028145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.893   1.200   1.135  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.087   0.017   0.738  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.645  -1.236   0.966  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.943  -2.396   0.627  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.675  -2.298   0.049  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.092  -1.045  -0.204  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.989  -1.329   1.557  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.515  -2.414   1.780  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.611  -0.137   1.835  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.541  -0.181   2.240  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.818   0.110   0.148  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.089   1.104   1.642  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.238  -0.941  -0.823  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.258  -0.163  -0.257  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        3.517  -0.079  -0.857  0.00  0.00    +0.145 A 
ATOM     16  C   LIG    1        3.709  -0.778  -2.041  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1        2.763  -1.552  -2.621  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.558  -1.610  -2.004  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        4.423   0.704  -0.204  0.00  0.00    -0.433 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.771   0.597  -0.634  0.00  0.00    +0.541 C 
ATOM     21  F   LIG    1        5.889   1.150  -1.865  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.523   1.350   0.206  0.00  0.00    -0.166 F 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.327   2.605   0.950  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.436   2.985  -0.460  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -2.159   3.961  -0.560  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -3.424   2.957  -0.722  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 5