REMARK  Name = BDB041594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.275   0.875   1.167  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1        1.121   0.595   0.411  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.088   0.273   1.033  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.145   0.239   2.430  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.989   0.522   3.193  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.192   0.839   2.565  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.272  -0.022   0.336  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1       -2.106  -0.221   0.885  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -1.472  -0.087  -1.029  0.00  0.00    +0.267 C 
ATOM     10  O   LIG    1       -0.642   0.083  -1.914  0.00  0.00    -0.268 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -2.890  -0.416  -1.391  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1       -3.745  -0.601  -0.345  0.00  0.00    -0.246 NA
ATOM     13  C   LIG    1       -5.052  -0.897  -0.608  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -5.494  -1.026  -1.935  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -4.595  -0.828  -2.993  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -3.269  -0.516  -2.719  0.00  0.00    +0.034 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -5.959  -1.068   0.594  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -5.697  -0.308   1.877  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -6.862   0.071   1.015  0.00  0.00    +0.010 C 
ENDBRANCH  13  17
BRANCH  14  20
ATOM     20  C   LIG    1       -6.887  -1.376  -2.293  0.00  0.00    +0.260 C 
ATOM     21  O   LIG    1       -7.739  -1.713  -1.484  0.00  0.00    -0.296 OA
ENDBRANCH  14  20
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  23
ATOM     22  C   LIG    1        3.515   2.627  -0.127  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        3.597   1.228   0.497  0.00  0.00    +0.023 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.012   0.157  -0.535  0.00  0.00    +0.084 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.472   0.207  -0.836  0.00  0.00    +0.134 A 
ATOM     26  N   LIG    1        6.435  -0.526  -0.191  0.00  0.00    -0.320 N 
ATOM     27  C   LIG    1        6.248  -1.470   0.877  0.00  0.00    +0.151 C 
ATOM     28  C   LIG    1        7.620  -0.183  -0.762  0.00  0.00    +0.224 A 
ATOM     29  N   LIG    1        7.411   0.705  -1.704  0.00  0.00    -0.138 NA
ATOM     30  N   LIG    1        6.059   0.949  -1.754  0.00  0.00    -0.135 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7