REMARK  Name = BDB008576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.951  -0.198   0.752  0.00  0.00    +0.122 C 
ATOM      2  C   LIG    1       -1.811  -0.441   2.001  0.00  0.00    +0.035 C 
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        2.693   0.876   0.449  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        3.163   0.567   1.742  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.243   0.015   2.653  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.679  -0.304   3.932  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        4.000  -0.093   4.337  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        4.914   0.451   3.445  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        0.958  -0.216   2.337  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        0.515   0.097   1.095  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        4.499   0.779   2.156  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        1.358   0.640   0.130  0.00  0.00    +0.071 A 
BRANCH   3  14
ATOM     13  C   LIG    1        3.200   1.599  -1.774  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        3.611   1.409  -0.425  0.00  0.00    -0.494 OA
ENDBRANCH   3  14
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  N   LIG    1       -1.085  -1.298  -0.248  0.00  0.00    -0.288 N 
ATOM     16  C   LIG    1       -1.277  -1.071  -1.617  0.00  0.00    +0.246 C 
ATOM     17  O   LIG    1       -0.945  -1.904  -2.470  0.00  0.00    -0.273 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.988   0.214  -2.098  0.00  0.00    +0.217 C 
ATOM     19  O   LIG    1       -1.293   1.424  -1.797  0.00  0.00    -0.365 OA
ATOM     20  C   LIG    1       -1.917   2.574  -2.391  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1       -3.424   2.409  -2.664  0.00  0.00    +0.109 C 
ATOM     22  N   LIG    1       -4.087   1.592  -1.640  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -3.942   2.047  -0.737  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -3.447   0.258  -1.584  0.00  0.00    +0.122 C 
ENDBRANCH  16  18
BRANCH  15  25
ATOM     25  C   LIG    1       -0.537  -2.591   0.150  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -1.143  -3.894  -0.319  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -1.257  -3.500   1.116  0.00  0.00    +0.024 C 
ENDBRANCH  15  25
ENDBRANCH   1  15
TORSDOF 5