REMARK  Name = BDB045141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.063  -0.415  -0.512  0.00  0.00    -0.477 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.066  -0.548  -0.163  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1        1.478   0.341  -1.069  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.089   0.396  -1.187  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.702  -0.427  -0.385  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -0.122  -1.333   0.500  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.268  -1.389   0.620  0.00  0.00    +0.013 A 
BRANCH   2   9
ATOM      8  N   LIG    1        4.331   0.130  -0.703  0.00  0.00    -0.093 NA
ATOM      9  C   LIG    1        3.531  -0.625  -0.019  0.00  0.00    +0.160 C 
BRANCH   8  10
ATOM     10  O   LIG    1        5.652  -0.177  -0.344  0.00  0.00    -0.394 OA
BRANCH  10  11
ATOM     11  C   LIG    1        6.531   0.654  -1.102  0.00  0.00    +0.262 C 
BRANCH  11  13
ATOM     12  C   LIG    1        8.272   0.676   0.735  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1        7.974   0.345  -0.721  0.00  0.00    +0.040 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  C   LIG    1       -2.660   0.710   0.152  0.00  0.00    +0.285 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.065   0.391   1.592  0.00  0.00    +0.346 C 
ATOM     16  O   LIG    1       -2.894  -0.652   2.204  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.620   1.449   2.227  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -3.815   1.096   3.121  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
BRANCH  14  19
ATOM     19  C   LIG    1       -3.862   1.190  -0.679  0.00  0.00    +0.091 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.059   0.264  -0.679  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -5.037  -0.936  -1.401  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.141  -1.790  -1.391  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -7.279  -1.452  -0.663  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.314  -0.260   0.057  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.211   0.595   0.050  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 10