REMARK  Name = BDB028544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.404   0.321  -1.155  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.094   1.355  -0.208  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.754   1.083   0.190  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.313  -1.056  -0.477  0.00  0.00    +0.138 C 
BRANCH   4  11
ATOM      5  C   LIG    1       -6.313   0.087   1.126  0.00  0.00    +0.104 C 
ATOM      6  N   LIG    1       -5.015   0.595   0.710  0.00  0.00    -0.304 NA
ATOM      7  C   LIG    1       -3.887   0.057   1.482  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -3.548  -1.436   1.312  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -3.270  -1.819  -0.078  0.00  0.00    -0.284 N 
ATOM     10  C   LIG    1       -2.072  -1.574  -0.732  0.00  0.00    +0.302 C 
ATOM     11  N   LIG    1       -1.010  -1.306   0.096  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1       -0.994  -1.901   0.910  0.00  0.00    +0.150 HD
ATOM     13  O   LIG    1       -1.963  -1.571  -1.954  0.00  0.00    -0.253 OA
ATOM     14  C   LIG    1       -4.447  -2.024  -0.909  0.00  0.00    +0.110 C 
ATOM     15  C   LIG    1       -5.047  -0.747  -1.495  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -4.793   0.561  -0.737  0.00  0.00    +0.085 C 
ENDBRANCH   4  11
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        1.782   0.572  -1.810  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.973   0.284  -0.977  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.061   1.217   0.169  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        4.372   1.139   0.929  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        5.512   0.553   0.355  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        6.715   0.515   1.074  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.792   1.081   2.346  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.670   1.682   2.911  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.420  -0.084  -1.006  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        4.467   1.714   2.206  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.195   0.398  -1.792  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5