REMARK  Name = BDB028412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559  -1.709   0.289  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.133  -0.548  -0.248  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.494  -0.273  -0.073  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.295  -1.182   0.611  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.734  -0.909   0.744  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.189   0.245   0.154  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.180   0.449   0.235  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.426   1.173  -0.486  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.476  -1.679   1.343  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.742  -2.349   1.146  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.148   0.954  -0.592  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.378  -2.608   0.988  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.432  -1.464   0.222  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        3.052  -1.871   0.078  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        1.912  -1.111   0.249  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1        0.855  -2.006   0.116  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        1.471  -3.245  -0.171  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1        2.800  -3.165  -0.201  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1        1.929   0.311   0.598  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.130   1.319  -0.368  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        2.124   2.664   0.043  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.908   3.005   1.379  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        1.697   2.008   2.326  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        1.707   0.668   1.938  0.00  0.00    +0.010 A 
BRANCH  20  25
ATOM     25  C   LIG    1        2.360   0.991  -1.825  0.00  0.00    +0.372 C 
ATOM     26  F   LIG    1        3.582   0.427  -2.040  0.00  0.00    -0.204 F 
ATOM     27  F   LIG    1        2.324   2.091  -2.632  0.00  0.00    -0.204 F 
ENDBRANCH  20  25
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  28
ATOM     28  C   LIG    1       -2.307   2.030  -1.276  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -1.950   1.587  -2.627  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -1.493   2.360  -3.113  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -2.815   1.422  -3.146  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5