REMARK  Name = BDB049790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.075   0.806   2.116  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1       -1.123   0.915   1.128  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1       -1.462   0.728   0.185  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.825   0.865   3.316  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.936   0.129  -0.845  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1       -5.071   0.311   0.251  0.00  0.00    +0.102 A 
ATOM      7  C   LIG    1       -5.615   0.324   1.537  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1       -4.539   0.513   2.367  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1       -4.550   0.584   3.375  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -3.410   0.601   1.596  0.00  0.00    +0.195 A 
ATOM     11  C   LIG    1       -6.978   0.168   1.801  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -7.821  -0.006   0.699  0.00  0.00    +0.003 A 
ATOM     13  N   LIG    1       -3.702   0.465   0.315  0.00  0.00    -0.223 NA
ATOM     14  C   LIG    1       -7.316  -0.025  -0.603  0.00  0.00    +0.015 A 
BRANCH   5  18
ATOM     15  N   LIG    1       -5.993  -0.754  -3.097  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -5.530  -0.850  -3.992  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -6.535  -1.540  -2.767  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1       -5.403   0.123  -2.223  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -4.487   0.845  -2.591  0.00  0.00    -0.270 OA
ENDBRANCH   5  18
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  C   LIG    1        0.304   0.945   1.399  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        0.826  -0.465   1.694  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        2.308  -0.577   1.346  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1        2.558  -0.394  -0.091  0.00  0.00    -0.299 NA
ATOM     24  C   LIG    1        1.636   0.572  -0.719  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        1.072   1.608   0.252  0.00  0.00    +0.037 C 
BRANCH  23  26
ATOM     26  C   LIG    1        3.983  -0.173  -0.439  0.00  0.00    +0.057 C 
ATOM     27  C   LIG    1        4.974  -1.069   0.335  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        6.436  -0.734   0.014  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        6.649  -0.201  -1.399  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        5.624  -0.774  -2.361  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        4.196  -0.390  -1.963  0.00  0.00    +0.019 C 
ENDBRANCH  23  26
ENDBRANCH   2  20
TORSDOF 4