REMARK  Name = BDB056749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.551   0.157  -0.816  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.359   0.868  -0.631  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.223   0.127  -0.280  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.249  -1.257  -0.138  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -0.987  -1.739   0.205  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.786  -0.688   0.257  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.448  -1.955  -0.350  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -1.082   0.468  -0.012  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.620   1.808  -0.027  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.597  -1.235  -0.699  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.654   0.896  -1.189  0.00  0.00    -0.456 OA
BRANCH  11  14
ATOM     12  C   LIG    1        7.233   0.403  -0.643  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        5.996   0.598  -1.264  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        4.827   0.670  -0.505  0.00  0.00    +0.132 A 
ATOM     15  C   LIG    1        4.889   0.586   0.886  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.121   0.391   1.511  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        7.290   0.296   0.749  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        9.580   0.139  -0.916  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        8.298   0.337  -1.498  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -3.243  -0.729   0.592  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.942  -0.060  -0.459  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -5.301   0.034  -0.343  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -6.074  -0.467   0.705  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -7.467  -0.292   0.695  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -8.082   0.384  -0.366  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.310   0.881  -1.414  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.926   0.705  -1.399  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -8.329  -0.805   1.787  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -9.540  -0.703   1.849  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.632  -1.422   2.758  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -8.320  -1.709   3.394  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 8