REMARK  Name = BDB014640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.534   1.252  -0.283  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -0.469   1.053   0.926  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.470   1.680   1.724  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.455   1.542   2.727  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.388   2.660   1.172  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.513   2.053   0.309  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.168   3.128  -0.378  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        2.575   3.395  -1.103  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        3.533   1.294   1.195  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        4.516   0.411   0.545  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        5.448   1.136  -0.334  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        6.474   0.223  -0.980  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        6.223  -1.155  -1.119  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        7.162  -1.972  -1.762  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.330  -1.423  -2.290  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.573  -0.056  -2.171  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.974  -1.757  -0.523  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        7.649   0.764  -1.521  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.907  -0.703  -0.190  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.381   0.088   1.688  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.498  -0.281   0.891  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.449  -1.097   1.451  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -4.599  -1.347   0.660  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -5.579  -2.209   1.187  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.446  -2.780   2.455  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.320  -2.514   3.221  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.323  -1.679   2.721  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.729  -0.739  -0.746  0.00  0.00    +0.087 C 
ATOM     29  N   LIG    1       -4.554   0.726  -0.772  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -3.697   0.946  -0.261  0.00  0.00    +0.123 HD
ATOM     31  C   LIG    1       -5.688   1.448  -0.208  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1       -6.947   1.184  -1.024  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -7.239  -0.308  -1.126  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -5.994  -1.082  -1.568  0.00  0.00    +0.023 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9