REMARK  Name = BDB022058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.094  -1.839  -0.662  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.225  -2.711   0.259  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.134  -3.000  -0.364  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.871  -1.772  -0.644  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.258  -1.855  -0.750  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.880  -2.914  -0.724  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.091  -0.548  -0.848  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.256  -0.853  -1.498  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.028  -0.606  -0.929  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        4.204   0.322   0.128  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        4.932   1.505  -0.148  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        5.119   2.461   0.865  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.606   2.259   2.146  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.904   1.096   2.435  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.468   1.714  -1.431  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        5.306   0.769  -2.445  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.708   0.137   1.440  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        4.590  -0.395  -2.195  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  21
ATOM     19  N   LIG    1       -3.172  -0.595  -0.702  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1       -3.098  -0.816  -1.687  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -2.173  -1.086   0.125  0.00  0.00    +0.220 C 
ATOM     22  O   LIG    1       -2.107  -0.945   1.341  0.00  0.00    -0.275 OA
BRANCH  19  26
ATOM     23  C   LIG    1       -6.006   1.772   2.669  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -5.737   1.320   1.263  0.00  0.00    -0.049 A 
ATOM     25  C   LIG    1       -4.586   0.569   0.973  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -4.303   0.165  -0.334  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1       -5.184   0.532  -1.360  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.323   1.291  -1.084  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.596   1.688   0.223  0.00  0.00    +0.003 A 
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 3