REMARK  Name = BDB064670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.492   1.959   0.960  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        3.247   1.784   1.423  0.00  0.00    +0.176 C 
ATOM      3  C   LIG    1        2.847   2.132   2.813  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1        3.513   2.610   3.704  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1        1.440   1.755   2.850  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        1.114   1.247   1.596  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -0.159   0.796   1.307  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1       -1.117   0.868   2.325  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.773   1.387   3.594  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.520   1.839   3.873  0.00  0.00    +0.019 A 
ATOM     11  O   LIG    1        2.174   1.251   0.718  0.00  0.00    -0.451 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        6.666   0.657  -1.823  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        6.183   0.971  -0.550  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        4.947   1.620  -0.395  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        4.213   1.975  -1.533  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        4.692   1.664  -2.805  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.913   1.005  -2.946  0.00  0.00    +0.045 A 
BRANCH  12  19
ATOM     18  C   LIG    1        8.650  -0.361  -0.995  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        7.845   0.021  -2.103  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   8  20
ATOM     20  O   LIG    1       -2.422   0.472   2.221  0.00  0.00    -0.483 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.842  -0.084   0.982  0.00  0.00    +0.324 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.313  -0.516   1.039  0.00  0.00    +0.254 C 
ATOM     23  N   LIG    1       -4.859  -0.967  -0.147  0.00  0.00    -0.283 N 
ATOM     24  C   LIG    1       -6.217  -1.502  -0.193  0.00  0.00    +0.187 C 
ATOM     25  C   LIG    1       -6.593  -1.399  -1.673  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1       -5.266  -1.633  -2.390  0.00  0.00    +0.134 C 
ATOM     27  C   LIG    1       -4.230  -0.990  -1.461  0.00  0.00    +0.140 C 
ATOM     28  O   LIG    1       -4.985  -0.466   2.069  0.00  0.00    -0.272 OA
BRANCH  24  29
ATOM     29  C   LIG    1       -6.253  -2.951   0.311  0.00  0.00    +0.326 C 
ATOM     30  O   LIG    1       -5.340  -3.598   0.800  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.480  -3.508   0.200  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -7.353  -4.394   0.603  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
BRANCH  26  33
ATOM     33  O   LIG    1       -5.021  -3.030  -2.510  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -5.688  -3.403  -3.113  0.00  0.00    +0.210 HD
ENDBRANCH  26  33
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 8