REMARK  Name = BDB021772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.683   0.605  -0.692  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.989  -0.496   0.122  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.335  -0.626   0.402  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.834   0.250   0.373  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.117  -1.241   0.560  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.982  -1.696   1.067  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -4.301  -1.514   1.548  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.034  -0.213   1.335  0.00  0.00    +0.048 C 
ATOM      9  C   LIG    1       -4.890  -2.588   2.253  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -4.249  -3.821   2.425  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -2.977  -3.995   1.901  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.351  -2.941   1.232  0.00  0.00    +0.024 A 
BRANCH   9  13
ATOM     13  N   LIG    1       -6.206  -2.455   2.858  0.00  0.00    +0.057 N 
ATOM     14  O   LIG    1       -7.086  -3.234   2.468  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1       -6.345  -1.585   3.728  0.00  0.00    -0.126 OA
ENDBRANCH   9  13
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1        3.579   0.826  -0.969  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1        2.872   0.293  -2.136  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        1.414  -0.087  -1.866  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        0.735   0.938  -0.954  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1        1.545   1.210   0.329  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        2.922   0.546   0.305  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1        5.036   0.626  -1.013  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1        5.707   1.873  -0.412  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1        5.596  -0.638  -0.319  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.811  -3.148  -0.273  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        5.137  -1.959  -0.941  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1       -1.671   1.206  -1.597  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.526   2.278  -0.958  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.051   3.094   0.079  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.869   4.073   0.645  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.166   4.260   0.173  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.645   3.472  -0.871  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.829   2.491  -1.437  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8