REMARK  Name = BDB025585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.353   0.087  -0.026  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.592   0.288   1.318  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.337   1.459   1.801  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        0.902   1.597   3.258  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        0.676   0.151   3.690  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.059  -0.483   2.441  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        0.832   0.873  -0.849  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.858   1.226   1.667  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.297   1.199   0.356  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.591   1.256  -0.381  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        3.601   1.084   2.636  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.648   0.920  -0.001  0.00  0.00    +0.073 C 
ATOM     13  C   LIG    1        5.008   0.587  -1.423  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1        5.067  -0.477  -0.367  0.00  0.00    +0.024 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  15
ATOM     15  O   LIG    1       -0.199   0.086   4.802  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1        0.254   0.507   5.554  0.00  0.00    +0.210 HD
ENDBRANCH   5  15
BRANCH   1  17
ATOM     17  C   LIG    1       -0.514  -1.113  -0.446  0.00  0.00    +0.200 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.918  -0.753  -0.304  0.00  0.00    -0.239 N 
ATOM     19  N   LIG    1       -2.757  -1.590   0.342  0.00  0.00    -0.065 NA
ATOM     20  N   LIG    1       -3.952  -1.015   0.372  0.00  0.00    -0.134 NA
ATOM     21  C   LIG    1       -3.848   0.193  -0.249  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1       -2.563   0.386  -0.691  0.00  0.00    +0.134 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.016   1.184  -0.429  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -5.864   1.531   0.767  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -4.928   2.554   0.193  0.00  0.00    +0.010 C 
ENDBRANCH  21  23
ENDBRANCH  17  18
BRANCH  17  27
ATOM     26  C   LIG    1        1.352  -2.087  -1.884  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -0.154  -1.741  -1.841  0.00  0.00    -0.007 C 
ATOM     28  C   LIG    1       -0.929  -3.068  -2.025  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -0.487  -0.840  -3.046  0.00  0.00    +0.013 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 7