REMARK  Name = BDB022995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198   2.167  -0.860  0.00  0.00    +0.014 C 
ATOM      2  C   LIG    1        0.550   1.105  -1.673  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        1.878   0.785  -1.042  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        2.069  -0.337  -0.253  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1        3.265  -0.628   0.311  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1        4.286   0.219   0.102  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1        4.180   1.330  -0.642  0.00  0.00    -0.222 NA
ATOM      8  C   LIG    1        0.941  -1.317  -0.000  0.00  0.00    +0.163 C 
ATOM      9  N   LIG    1       -0.354  -0.902  -0.551  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -1.500  -1.367   0.080  0.00  0.00    +0.220 C 
ATOM     11  O   LIG    1       -1.424  -2.138   1.039  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.983   1.592  -1.194  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -0.289  -0.175  -1.819  0.00  0.00    +0.116 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1       -2.860  -0.930  -0.474  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.943  -0.929   0.637  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.328  -1.229   0.025  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.392  -2.567  -0.585  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.530  -2.676  -1.492  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.136  -3.000  -1.205  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.247  -1.841  -1.654  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.891   0.380   1.419  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -3.200   0.417   2.641  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.098   1.602   3.370  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.680   2.771   2.886  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.361   2.754   1.671  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.463   1.568   0.940  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH  10  14
BRANCH   6  27
ATOM     27  N   LIG    1        5.487  -0.135   0.715  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        5.329  -0.995   1.225  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.689   0.470   0.717  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1        7.796   0.003   1.381  0.00  0.00    +0.131 A 
ATOM     31  N   LIG    1        8.792   0.901   1.126  0.00  0.00    -0.273 N 
ATOM     32  C   LIG    1       10.151   0.849   1.606  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        8.410   1.922   0.337  0.00  0.00    -0.178 NA
ATOM     34  C   LIG    1        7.121   1.657   0.089  0.00  0.00    +0.157 A 
ENDBRANCH  27  29
ENDBRANCH   6  27
TORSDOF 4