REMARK  Name = BDB059092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.032  -1.917   0.405  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        2.612  -0.846   0.495  0.00  0.00    +0.231 C 
ATOM      3  C   LIG    1        1.992   0.560   0.269  0.00  0.00    +0.080 C 
ATOM      4  C   LIG    1        1.392   0.656  -1.140  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        0.059  -0.079  -1.258  0.00  0.00    +0.109 C 
ATOM      6  N   LIG    1       -0.865   0.385  -0.212  0.00  0.00    -0.301 N 
ATOM      7  C   LIG    1       -0.356   0.118   1.143  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.959   0.863   1.362  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1        3.216   1.440   0.419  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.333   0.669   0.733  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        5.584   1.236   0.915  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.705   2.622   0.781  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        4.585   3.408   0.469  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        3.341   2.810   0.289  0.00  0.00    +0.129 A 
ATOM     15  F   LIG    1        2.278   3.566  -0.011  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1        3.961  -0.674   0.810  0.00  0.00    -0.268 N 
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1       -2.230   0.249  -0.415  0.00  0.00    +0.198 A 
ATOM     18  N   LIG    1       -2.731   0.772  -1.574  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1       -2.127   1.298  -2.182  0.00  0.00    +0.172 HD
ATOM     20  C   LIG    1       -4.055   0.774  -1.892  0.00  0.00    +0.256 A 
ATOM     21  O   LIG    1       -4.486   1.320  -2.902  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -4.932   0.078  -0.932  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -6.391  -0.032  -1.255  0.00  0.00    +0.042 C 
ATOM     24  C   LIG    1       -7.122  -1.032  -0.358  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.680  -0.892   1.094  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -5.172  -1.116   1.234  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -4.353  -0.413   0.175  0.00  0.00    +0.053 A 
ATOM     28  N   LIG    1       -3.011  -0.318   0.453  0.00  0.00    -0.220 NA
ENDBRANCH   6  17
BRANCH  16  29
ATOM     29  C   LIG    1        4.870  -1.774   1.037  0.00  0.00    +0.141 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.470  -2.317  -0.259  0.00  0.00    +0.175 C 
BRANCH  30  31
ATOM     31  O   LIG    1        6.336  -3.414   0.011  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        5.776  -4.169   0.267  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  16  29
TORSDOF 4