REMARK  Name = BDB054799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.884  -1.872   0.230  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        1.621  -3.209  -0.093  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1        2.415  -3.844  -0.971  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        0.552  -3.898   0.468  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.283  -3.246   1.373  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.044  -1.908   1.721  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        1.054  -1.234   1.154  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        3.357   0.073  -0.353  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1        2.983  -1.258  -0.410  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        3.497  -1.866  -1.041  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        2.790   0.949   0.292  0.00  0.00    -0.275 OA
BRANCH   8  12
ATOM     12  C   LIG    1        4.630   0.339  -1.139  0.00  0.00    +0.124 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.740   1.795  -1.566  0.00  0.00    +0.168 C 
BRANCH  13  15
ATOM     14  C   LIG    1        3.944   3.343  -3.156  0.00  0.00    +0.194 C 
ATOM     15  O   LIG    1        3.949   1.983  -2.743  0.00  0.00    -0.382 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   6  16
ATOM     16  C   LIG    1       -0.951  -1.198   2.703  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.386  -1.082   2.204  0.00  0.00    +0.087 A 
ATOM     18  C   LIG    1       -2.751   0.053   1.284  0.00  0.00    +0.059 A 
ATOM     19  N   LIG    1       -1.809   0.979   0.850  0.00  0.00    -0.342 N 
ATOM     20  H   LIG    1       -0.857   0.622   0.810  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -2.121   1.888  -0.247  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.552   2.394  -0.092  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -4.542   1.227   0.021  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.040   0.127   0.915  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -5.010  -0.892   1.371  0.00  0.00    +0.270 A 
ATOM     26  O   LIG    1       -6.190  -0.857   1.033  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -4.513  -1.878   2.180  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -5.166  -2.582   2.506  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -3.227  -1.988   2.612  0.00  0.00    -0.174 NA
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 6