REMARK  Name = BDB021556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.182  -0.755  -0.618  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.025  -1.398  -1.886  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.957  -1.708  -1.910  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.763  -1.339   0.456  0.00  0.00    +0.140 C 
BRANCH   4   7
ATOM      5  O   LIG    1       -2.604  -2.098  -1.356  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -2.986  -1.199  -0.598  0.00  0.00    +0.250 C 
ATOM      7  N   LIG    1       -2.118  -0.753   0.396  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -2.342   0.448   1.181  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1       -3.690   0.398   1.865  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -4.667   1.011   1.046  0.00  0.00    -0.490 OA
ATOM     11  C   LIG    1       -5.045   0.344  -0.083  0.00  0.00    +0.133 A 
ATOM     12  C   LIG    1       -6.315   0.784  -0.511  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -6.932   0.259  -1.643  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.279  -0.716  -2.375  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.013  -1.147  -1.971  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -4.359  -0.626  -0.824  0.00  0.00    +0.078 A 
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        1.667  -0.945  -0.238  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.083  -0.286   1.017  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.454  -0.687   1.397  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        4.563  -0.004   0.625  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        4.344   1.226  -0.023  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        5.398   1.853  -0.701  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.668   1.278  -0.715  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.893   0.070  -0.058  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.965   1.836  -0.048  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        5.848  -0.566   0.612  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.015   1.185   0.969  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5