REMARK  Name = BDB050225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.382  -0.981   0.281  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.433  -1.138   1.404  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.805  -1.359   1.265  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.386  -1.422  -0.006  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        1.565  -1.266  -1.130  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.190  -1.045  -0.988  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.704  -0.771   0.562  0.00  0.00    -0.486 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.596  -0.646  -0.549  0.00  0.00    +0.288 C 
BRANCH   8  11
ATOM      9  C   LIG    1       -4.248  -1.790   2.158  0.00  0.00    +0.088 C 
ATOM     10  C   LIG    1       -4.650  -0.953   1.014  0.00  0.00    +0.129 A 
ATOM     11  C   LIG    1       -4.006  -0.460  -0.102  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1       -4.899   0.279  -0.853  0.00  0.00    -0.210 NA
ATOM     13  C   LIG    1       -6.028   0.223  -0.170  0.00  0.00    +0.228 A 
ATOM     14  O   LIG    1       -5.944  -0.517   0.981  0.00  0.00    -0.440 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -7.322   0.827  -0.474  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -8.435   0.663   0.365  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -9.663   1.252   0.048  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -9.793   2.013  -1.112  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -8.698   2.186  -1.956  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -7.472   1.596  -1.638  0.00  0.00    +0.013 A 
ENDBRANCH  13  15
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1        3.870  -1.653  -0.162  0.00  0.00    +0.043 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.642  -0.409  -0.639  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1        6.055  -0.819  -1.057  0.00  0.00    +0.170 C 
ATOM     24  O   LIG    1        6.932   0.307  -0.979  0.00  0.00    -0.340 OA
ATOM     25  C   LIG    1        7.096   0.724   0.396  0.00  0.00    +0.267 C 
ATOM     26  C   LIG    1        7.478   2.205   0.387  0.00  0.00    +0.087 C 
ATOM     27  O   LIG    1        5.923   0.538   1.182  0.00  0.00    -0.340 OA
ATOM     28  C   LIG    1        4.729   0.690   0.422  0.00  0.00    +0.170 C 
BRANCH  25  29
ATOM     29  C   LIG    1        8.325  -0.050   0.976  0.00  0.00    +0.365 C 
ATOM     30  O   LIG    1        8.548  -0.270   2.157  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        9.170  -0.466  -0.013  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        8.777  -0.234  -0.885  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 8