REMARK  Name = BDB041339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.452   0.067  -0.051  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -1.764   0.722   0.981  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -0.370   0.536   1.133  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        0.338   1.196   2.244  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.326   2.005   3.071  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1       -1.662   2.225   2.915  0.00  0.00    -0.329 N 
ATOM      7  H   LIG    1       -2.155   2.835   3.557  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        0.303  -0.297   0.221  0.00  0.00    +0.127 A 
ATOM      9  N   LIG    1       -0.354  -0.936  -0.766  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -2.448   1.639   1.947  0.00  0.00    +0.257 A 
ATOM     11  O   LIG    1       -3.648   1.877   1.924  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -1.687  -0.743  -0.881  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -7.012   0.912  -2.125  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -5.887   0.499  -1.255  0.00  0.00    +0.061 A 
ATOM     15  N   LIG    1       -6.117  -0.230  -0.159  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1       -4.898  -0.380   0.402  0.00  0.00    -0.266 N 
ATOM     17  C   LIG    1       -4.809  -1.109   1.646  0.00  0.00    +0.173 C 
ATOM     18  C   LIG    1       -3.880   0.170  -0.342  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1       -4.511   0.760  -1.423  0.00  0.00    +0.052 A 
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1        1.692  -0.486   0.335  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        2.154   0.418   0.316  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.272  -1.410  -0.634  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.766  -1.431  -0.459  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.598  -0.466  -1.021  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.268   0.730  -1.833  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.670   1.093  -2.322  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.644   0.540  -1.408  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.970  -0.488  -0.802  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.577  -1.452  -0.022  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.766  -2.434   0.543  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.381  -2.417   0.325  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.637  -3.378   0.892  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4