REMARK  Name = BDB011684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.517   1.039  -0.290  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1       -0.666   0.390  -0.293  0.00  0.00    +0.152 A 
ATOM      3  C   LIG    1       -1.911   1.149  -0.047  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.829   2.517   0.270  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -2.978   3.273   0.524  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -4.218   2.656   0.453  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -4.331   1.308   0.131  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -5.325   3.370   0.692  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -0.499   3.171   0.314  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1       -0.373   4.358   0.590  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -3.181   0.555  -0.121  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        0.583   2.378   0.018  0.00  0.00    -0.319 N 
ATOM     13  H   LIG    1        1.478   2.853   0.011  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        4.041  -0.291   0.074  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        2.825   0.342   0.359  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        1.796   0.369  -0.595  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        2.008  -0.240  -1.840  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.220  -0.870  -2.127  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.236  -0.896  -1.171  0.00  0.00    +0.019 A 
BRANCH  14  21
ATOM     20  N   LIG    1        5.928  -0.338   1.853  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        5.083  -0.319   1.057  0.00  0.00    +0.099 C 
ENDBRANCH  14  21
ENDBRANCH   1  16
BRANCH   2  22
ATOM     22  O   LIG    1       -0.806  -0.950  -0.601  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -0.630  -1.773   0.564  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.703  -3.239   0.125  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -0.572  -4.163   1.249  0.00  0.00    -0.327 NA
ATOM     26  H   LIG    1       -0.610  -5.122   0.901  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1       -1.370  -4.061   1.877  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6