REMARK  Name = BDB053718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.953   2.410   0.875  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1        0.718   1.818   0.494  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        0.314   0.814  -0.436  0.00  0.00    +0.108 A 
ATOM      4  C   LIG    1       -1.070   0.725  -0.394  0.00  0.00    +0.220 A 
ATOM      5  N   LIG    1       -1.554   1.651   0.530  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -0.449   2.283   1.109  0.00  0.00    +0.149 A 
ATOM      7  N   LIG    1       -0.506   3.244   2.060  0.00  0.00    -0.237 NA
ATOM      8  C   LIG    1        0.680   3.770   2.402  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        1.897   3.409   1.859  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        1.141   0.040  -1.347  0.00  0.00    +0.253 C 
ATOM     11  N   LIG    1        1.936  -0.968  -0.800  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        1.743  -1.530   0.543  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.038  -2.136   1.111  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        3.678  -3.097   0.193  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        3.030  -3.869   0.033  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.934  -2.431  -1.097  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.669  -1.827  -1.731  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.131   0.289  -2.550  0.00  0.00    -0.270 OA
ENDBRANCH   3  10
BRANCH   5  19
ATOM     19  C   LIG    1       -2.937   1.891   0.849  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.944   1.658  -0.100  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.288   1.880   0.217  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.644   2.337   1.482  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.654   2.579   2.430  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.309   2.360   2.117  0.00  0.00    +0.026 A 
ENDBRANCH   5  19
BRANCH   1  26
ATOM     25  C   LIG    1        3.530   2.841  -1.032  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        3.298   2.083   0.266  0.00  0.00    +0.032 C 
ENDBRANCH   1  26
BRANCH   4  27
ATOM     27  O   LIG    1       -1.892  -0.084  -1.075  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.817  -1.445  -0.883  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -1.684  -2.282  -2.003  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -1.550  -1.729  -3.393  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -1.617  -3.671  -1.806  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -1.724  -4.209  -0.523  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -1.897  -3.362   0.564  0.00  0.00    +0.127 A 
ATOM     34  F   LIG    1       -2.003  -3.883   1.794  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -1.949  -1.985   0.400  0.00  0.00    +0.085 A 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 5