REMARK  Name = BDB056760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.712   1.878  -0.710  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.732   1.008  -0.209  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.507   0.980  -0.888  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.246   1.782  -1.995  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.022   1.566  -2.468  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.564   0.669  -1.665  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.233   2.662  -2.464  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.657   0.269  -0.705  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.882  -0.716   0.326  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.466   2.709  -1.804  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.939   1.998  -0.094  0.00  0.00    -0.456 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -6.360  -1.368   0.433  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -5.593  -1.253  -0.731  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -4.768  -0.143  -0.936  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -4.695   0.853   0.037  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -5.472   0.752   1.192  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -6.297  -0.359   1.396  0.00  0.00    +0.049 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -7.953  -2.649   1.647  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -7.126  -2.499   0.500  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.954   0.132  -1.790  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.589   0.286  -0.520  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.905  -0.081  -0.437  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.513   0.211   0.789  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        6.860  -0.108   1.008  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.600  -0.721  -0.007  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.990  -1.028  -1.226  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.645  -0.709  -1.440  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.540   0.185   2.293  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        8.707  -0.051   2.551  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.725   0.750   3.200  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        7.299   0.881   3.984  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 8