REMARK  Name = BDB021168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.618  -0.072  -0.455  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.010   0.789   0.498  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.357   0.950   0.409  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.728   1.794   1.428  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1        0.440   2.126   2.091  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1       -1.142   0.314  -0.575  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.566  -0.481  -1.436  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.513   1.489   1.494  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1        0.799  -0.657  -1.353  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.052  -1.739   1.615  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.738  -1.141   0.421  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        3.057  -0.370  -0.510  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        3.841   0.115  -1.541  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1        5.160  -0.130  -1.678  0.00  0.00    -0.239 NA
ATOM     15  C   LIG    1        5.743  -0.886  -0.729  0.00  0.00    +0.132 A 
ATOM     16  N   LIG    1        5.064  -1.407   0.314  0.00  0.00    -0.236 NA
BRANCH  15  17
ATOM     17  C   LIG    1        7.218  -1.179  -0.845  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        8.149  -0.862   0.305  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        8.213  -0.044  -0.950  0.00  0.00    +0.012 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1        0.540   3.006   3.249  0.00  0.00    +0.357 C 
ATOM     21  O   LIG    1       -0.402   3.579   3.781  0.00  0.00    -0.243 OA
BRANCH  20  22
ATOM     22  OXT LIG    1        1.793   3.167   3.732  0.00  0.00    -0.476 OA
ATOM     23  HXT LIG    1        1.678   3.775   4.488  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   5  20
BRANCH   6  24
ATOM     24  N   LIG    1       -2.500   0.549  -0.591  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -2.826   1.405  -0.155  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.319   0.138  -1.718  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.770   0.289  -1.362  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.403  -0.553  -0.452  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.856  -1.669   0.358  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -6.166  -2.279   0.855  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.204  -1.272   0.805  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -6.739  -0.373  -0.118  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.504   0.640  -0.660  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -6.893   1.493  -1.580  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.545   1.313  -1.920  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -4.989   2.164  -2.795  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 7