REMARK  Name = BDB029348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.507   0.148   2.241  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        1.633   0.190   1.404  0.00  0.00    +0.116 A 
ATOM      3  C   LIG    1        2.684   1.044   1.794  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        3.816   1.123   0.973  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        3.907   0.359  -0.195  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1        2.836  -0.477  -0.489  0.00  0.00    +0.228 A 
ATOM      7  C   LIG    1        2.598   1.799   2.978  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.476   1.712   3.798  0.00  0.00    +0.004 A 
ATOM      9  N   LIG    1        1.707  -0.545   0.266  0.00  0.00    -0.209 NA
ATOM     10  C   LIG    1        0.428   0.877   3.433  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.144   0.496  -1.010  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        6.088   1.173  -0.616  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.211  -0.133  -2.218  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.447  -0.689  -2.585  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.048  -0.020  -2.774  0.00  0.00    +0.145 HD
ENDBRANCH   5  11
BRANCH   6  16
ATOM     16  O   LIG    1        2.900  -1.269  -1.619  0.00  0.00    -0.479 OA
ATOM     17  C   LIG    1        1.957  -2.337  -1.631  0.00  0.00    +0.279 C 
ENDBRANCH   6  16
BRANCH   1  18
ATOM     18  O   LIG    1       -0.540  -0.688   1.924  0.00  0.00    -0.488 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.667   0.047   1.414  0.00  0.00    +0.251 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -3.251   0.133  -0.619  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -2.998  -0.061  -2.125  0.00  0.00    +0.256 C 
ATOM     22  F   LIG    1       -3.398  -1.308  -2.498  0.00  0.00    -0.235 F 
ATOM     23  C   LIG    1       -1.488   0.087  -2.227  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1       -0.826   0.209  -3.244  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1       -0.968  -0.001  -0.949  0.00  0.00    -0.306 N 
ATOM     26  H   LIG    1        0.029  -0.163  -0.811  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -1.968  -0.439  -0.006  0.00  0.00    +0.117 C 
BRANCH  20  29
ATOM     28  C   LIG    1       -5.784   0.028  -0.744  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -4.525  -0.533  -0.098  0.00  0.00    +0.005 C 
ENDBRANCH  20  29
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6