REMARK  Name = BDB056727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.643  -1.383   3.179  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.790  -1.166   1.760  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1        0.209  -1.335   0.841  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -0.378  -1.034  -0.383  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        0.416  -1.121  -1.532  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.749  -1.505  -1.353  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        2.217  -1.768  -0.060  0.00  0.00    +0.222 A 
ATOM      8  N   LIG    1       -1.696  -0.699  -0.221  0.00  0.00    -0.227 NA
ATOM      9  N   LIG    1        1.481  -1.714   1.077  0.00  0.00    -0.193 NA
ATOM     10  C   LIG    1       -1.927  -0.758   1.085  0.00  0.00    +0.149 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.521  -2.201   0.100  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.505  -1.247  -0.067  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1        4.374   0.086   0.345  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1        5.449   0.928   0.139  0.00  0.00    +0.127 A 
ATOM     15  O   LIG    1        5.471   2.254   0.496  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1        6.662   2.760  -0.151  0.00  0.00    +0.234 C 
ATOM     17  C   LIG    1        7.613   1.596  -0.439  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        6.633   0.486  -0.431  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        6.789  -0.835  -0.818  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        5.710  -1.706  -0.633  0.00  0.00    +0.047 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  21
ATOM     21  C   LIG    1       -3.232  -0.478   1.767  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.859   0.650   1.143  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.891   0.394   0.281  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.831   1.421   0.166  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -6.919   1.277  -0.704  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -7.084   0.101  -1.444  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.131  -0.913  -1.346  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.030  -0.760  -0.496  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -7.927   2.349  -0.845  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -9.125   2.135  -0.903  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.376   3.577  -0.950  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -6.404   3.577  -1.045  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7