REMARK  Name = BDB021477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.176  -0.567   0.181  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -3.431   0.578  -0.076  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -2.102   0.726   0.387  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1       -1.599   1.936   0.002  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.513   2.455   0.747  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.738   1.658   0.452  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.894   0.571   1.403  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.082  -0.395   1.635  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.223  -1.395   2.295  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.487  -0.308   1.104  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -2.268  -1.460   1.361  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.586  -1.585   0.913  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -5.462  -0.812  -0.202  0.00  0.00    -0.487 OA
BRANCH  13  17
ATOM     14  C   LIG    1       -9.546  -0.015  -1.875  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -8.521  -0.852  -1.259  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -7.195  -0.677  -1.891  0.00  0.00    +0.128 C 
ATOM     17  C   LIG    1       -6.129   0.110  -1.078  0.00  0.00    +0.187 C 
ATOM     18  C   LIG    1       -6.800   1.220  -0.269  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -7.915   0.684   0.635  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -8.459  -0.678   0.194  0.00  0.00    +0.084 C 
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1        2.260   0.311   1.898  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.058  -0.646   0.981  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.670  -2.008   1.204  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.769  -2.010   1.592  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.576  -0.495   1.262  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.470  -1.287   0.395  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        6.872  -1.221   0.843  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        7.753  -0.295   0.037  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.611  -0.303  -1.361  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        8.464   0.459  -2.162  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.451   1.244  -1.565  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.592   1.260  -0.176  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.516  -1.168  -1.925  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        8.751   0.486   0.625  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.269  -1.010  -1.040  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7