REMARK  Name = BDB025592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.399  -0.767  -0.398  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1        2.151  -0.121  -0.848  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.022  -0.128  -0.048  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1        1.058  -0.725   1.032  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1        2.264   0.287  -2.244  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1        3.276  -0.701  -2.814  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1        4.257  -0.909  -1.667  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        3.960   0.818   3.018  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1        3.563  -0.048   1.939  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1        2.629  -0.463   1.990  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        4.084   0.115   0.670  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1        4.964   0.930   0.408  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1        2.630  -1.933  -3.141  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1        2.203  -2.278  -2.337  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1       -0.226   0.628  -0.529  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.410   0.174   0.192  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1       -1.771   0.695   1.380  0.00  0.00    -0.065 NA
ATOM     18  N   LIG    1       -2.904   0.112   1.750  0.00  0.00    -0.134 NA
ATOM     19  C   LIG    1       -3.249  -0.778   0.778  0.00  0.00    +0.089 A 
ATOM     20  C   LIG    1       -2.318  -0.759  -0.230  0.00  0.00    +0.135 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.515  -1.685   0.831  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.522  -1.550  -0.294  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -5.841  -0.991   1.061  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1       -4.314  -3.040   1.451  0.00  0.00    +0.018 C 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  25
ATOM     25  C   LIG    1       -0.011   2.168  -0.584  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1       -1.236   2.898  -1.145  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        0.430   2.804   0.739  0.00  0.00    +0.010 C 
ENDBRANCH  15  25
ENDBRANCH   3  15
TORSDOF 6