REMARK  Name = BDB055947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.562   0.016   0.367  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -0.113   0.949  -0.769  0.00  0.00    +0.024 C 
ATOM      3  C   LIG    1        1.404   1.016  -0.907  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1        1.976  -0.378  -1.200  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.494  -1.459  -0.215  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        0.532  -0.949   0.858  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.419  -0.345  -1.367  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        4.397  -0.083  -0.391  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        5.639  -0.093  -1.026  0.00  0.00    +0.104 A 
ATOM     10  C   LIG    1        6.816   0.130  -0.346  0.00  0.00    +0.166 A 
ATOM     11  C   LIG    1        6.743   0.374   1.024  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        5.486   0.390   1.675  0.00  0.00    +0.024 A 
ATOM     13  F   LIG    1        7.989   0.115  -0.993  0.00  0.00    -0.202 F 
ATOM     14  N   LIG    1        5.440  -0.344  -2.378  0.00  0.00    -0.304 N 
ATOM     15  H   LIG    1        6.145  -0.396  -3.097  0.00  0.00    +0.171 HD
ATOM     16  C   LIG    1        4.298   0.160   0.963  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        4.067  -0.488  -2.621  0.00  0.00    +0.328 A 
ATOM     18  O   LIG    1        3.564  -0.685  -3.713  0.00  0.00    -0.247 OA
BRANCH  11  19
ATOM     19  C   LIG    1        7.938   0.613   1.773  0.00  0.00    +0.102 C 
ATOM     20  N   LIG    1        8.886   0.811   2.412  0.00  0.00    -0.191 NA
ENDBRANCH  11  19
ENDBRANCH   4   7
BRANCH   1  24
ATOM     21  C   LIG    1       -3.760  -2.833   1.278  0.00  0.00    +0.058 C 
ATOM     22  C   LIG    1       -3.901  -1.641   0.318  0.00  0.00    +0.132 C 
ATOM     23  C   LIG    1       -3.036  -0.453   0.788  0.00  0.00    +0.153 C 
ATOM     24  N   LIG    1       -1.811  -0.682   0.057  0.00  0.00    -0.253 N 
ATOM     25  C   LIG    1       -2.022  -1.556  -0.980  0.00  0.00    +0.404 C 
ATOM     26  O   LIG    1       -1.219  -1.878  -1.839  0.00  0.00    -0.226 OA
ATOM     27  O   LIG    1       -3.306  -2.029  -0.938  0.00  0.00    -0.442 OA
ATOM     28  C   LIG    1       -5.385  -1.358   0.086  0.00  0.00    +0.058 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -3.598   0.939   0.549  0.00  0.00    -0.023 A 
ATOM     30  C   LIG    1       -4.050   1.698   1.641  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.574   2.978   1.453  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.657   3.518   0.172  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.217   2.778  -0.923  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.692   1.498  -0.737  0.00  0.00    +0.005 A 
ENDBRANCH  23  29
ENDBRANCH   1  24
TORSDOF 4