REMARK  Name = BDB042637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.388  -2.017  -1.042  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.440  -2.408  -0.242  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        1.753  -1.909   1.093  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1        2.455  -0.526   0.954  0.00  0.00    +0.129 C 
ATOM      5  N   LIG    1        3.661  -0.612   0.081  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1        3.514  -1.460  -1.136  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1        2.737  -2.970   1.604  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        3.389  -3.539   0.330  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        2.727  -2.766  -0.819  0.00  0.00    +0.094 C 
ATOM     10  O   LIG    1        0.432  -2.117  -2.266  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.311   0.618  -0.094  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1        3.819   1.713   0.532  0.00  0.00    -0.239 NA
ATOM     13  C   LIG    1        4.458   2.900   0.382  0.00  0.00    +0.131 A 
ATOM     14  C   LIG    1        5.604   3.070  -0.370  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1        6.127   1.948  -0.998  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.479   0.718  -0.853  0.00  0.00    +0.045 A 
BRANCH  14  17
ATOM     17  C   LIG    1        6.223   4.351  -0.481  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1        6.725   5.393  -0.573  0.00  0.00    -0.191 NA
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  C   LIG    1       -0.833  -1.484  -0.316  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.986  -1.209  -1.281  0.00  0.00    +0.062 C 
BRANCH  20  28
ATOM     21  C   LIG    1       -4.434   3.503  -0.871  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.170   2.483  -0.044  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -4.753   1.135   0.041  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1       -5.492   0.232   0.833  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.052  -1.183   0.918  0.00  0.00    +0.259 A 
ATOM     26  N   LIG    1       -3.924  -1.516   0.202  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1       -3.659  -2.493   0.263  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -3.190  -0.647  -0.567  0.00  0.00    +0.020 A 
ATOM     29  O   LIG    1       -5.636  -2.031   1.581  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -6.621   0.665   1.526  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1       -7.343  -0.168   2.288  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.032   1.990   1.444  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -3.565   0.637  -0.673  0.00  0.00    +0.030 A 
ATOM     34  C   LIG    1       -6.313   2.894   0.665  0.00  0.00    +0.007 A 
ENDBRANCH  20  28
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5