REMARK  Name = BDB045576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.808   2.619   0.488  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.099   1.409   0.524  0.00  0.00    +0.103 A 
ATOM      3  C   LIG    1       -1.149   0.617   1.662  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.361  -0.463   1.357  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.190  -1.250   1.963  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.140  -0.308   0.081  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -1.882   0.959   2.801  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -2.586   2.168   2.756  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.305   0.824  -0.442  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -2.553   2.987   1.622  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.021  -1.274  -0.588  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        1.269  -1.136  -1.964  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.099  -2.032  -2.644  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        2.690  -3.076  -1.944  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        2.466  -3.233  -0.583  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.635  -2.335   0.095  0.00  0.00    +0.015 A 
BRANCH  14  17
ATOM     17  O   LIG    1        3.507  -3.975  -2.561  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        3.579  -3.737  -3.500  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  20
ATOM     19  O   LIG    1       -2.401   4.546  -0.752  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -1.783   3.494  -0.704  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.026   3.043  -1.728  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -0.583   2.179  -1.543  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4