REMARK  Name = BDB064733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.122  -0.192   1.464  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -2.296  -0.121   0.674  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -3.540   0.016   1.321  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.611   0.077   2.709  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1       -2.464  -0.001   3.484  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.222  -0.139   2.864  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.263  -0.171  -0.798  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -1.778   0.915  -1.544  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.745   0.868  -2.940  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.199  -0.267  -3.609  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.685  -1.353  -2.884  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.718  -1.305  -1.488  0.00  0.00    +0.008 A 
ENDBRANCH   2   7
BRANCH   1  14
ATOM     13  C   LIG    1        1.240   0.439   1.084  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        0.201  -0.375   0.842  0.00  0.00    +0.009 C 
BRANCH  13  17
ATOM     15  C   LIG    1        4.960   0.418   0.555  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        3.712   0.522   1.169  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        2.546   0.293   0.426  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        2.654  -0.013  -0.940  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        3.912  -0.111  -1.533  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        5.067   0.101  -0.793  0.00  0.00    +0.090 A 
BRANCH  15  21
ATOM     21  O   LIG    1        6.113   0.626   1.254  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        5.889   0.825   2.177  0.00  0.00    +0.292 HD
ENDBRANCH  15  21
BRANCH  19  23
ATOM     23  O   LIG    1        4.047  -0.411  -2.857  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1        3.163  -0.544  -3.237  0.00  0.00    +0.292 HD
ENDBRANCH  19  23
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  25
ATOM     25  O   LIG    1       -4.804   0.213   3.355  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -5.513   0.266   2.692  0.00  0.00    +0.292 HD
ENDBRANCH   4  25
TORSDOF 6