REMARK  Name = BDB015747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.476   1.728  -0.031  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.583   1.069   0.465  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.695  -0.229   0.128  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.243  -0.862  -0.662  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.317  -0.107  -1.086  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.448   1.187  -0.778  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.892  -0.946   0.638  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.044  -0.261   0.770  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.210  -0.848   1.234  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.404  -0.022   1.328  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.279  -2.190   1.598  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.299  -2.749   1.998  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.999  -2.963   1.485  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.040  -4.396   1.907  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.895  -2.347   1.032  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.318  -0.643  -1.898  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        2.956   0.134  -2.079  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.039  -1.761  -1.302  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.245  -2.089  -2.150  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.082  -2.640  -3.430  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.193  -2.943  -4.218  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.477  -2.696  -3.738  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.652  -2.141  -2.472  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.542  -1.837  -1.681  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  25
ATOM     25  O   LIG    1        0.666   3.065   0.298  0.00  0.00    -0.420 OA
BRANCH  25  28
ATOM     26  C   LIG    1        0.695   3.946   3.004  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -0.456   4.211   2.077  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -0.443   3.736   0.757  0.00  0.00    +0.170 A 
ATOM     29  C   LIG    1       -1.514   4.006  -0.098  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -1.487   3.590  -1.373  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -2.623   4.712   0.353  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -2.659   5.166   1.670  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -1.581   4.918   2.527  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 6