REMARK  Name = BDB044055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.775   0.942   0.350  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -1.933  -0.152   0.263  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -0.570  -0.117   0.085  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -0.139  -1.433   0.117  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -1.293  -2.359   0.262  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -1.310  -3.569   0.291  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        1.134  -1.835   0.034  0.00  0.00    +0.061 C 
ATOM      8  C   LIG    1       -2.430  -1.449   0.357  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.773  -1.721   0.525  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.639  -0.628   0.611  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.147   0.693   0.530  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.305  -0.957  -0.126  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.542   0.216   0.609  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1        3.719   0.947   0.447  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        4.673   0.516  -0.464  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        4.472  -0.640  -1.208  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.296  -1.377  -1.032  0.00  0.00    +0.015 A 
BRANCH  13  18
ATOM     18  O   LIG    1        1.660   0.692   1.539  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        0.853   0.959   1.054  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
BRANCH  15  20
ATOM     20  O   LIG    1        5.808   1.259  -0.601  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        6.387   0.829  -1.250  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   7  12
BRANCH   1  25
ATOM     22  N   LIG    1       -3.029   3.322  -0.098  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -3.903   3.162  -0.578  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -2.590   4.226  -0.224  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -2.204   2.308   0.304  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1       -1.035   2.525   0.597  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 4