REMARK  Name = BDB046256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.816  -0.168   0.061  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.214  -1.514   0.152  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -1.145  -2.141   1.410  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -0.664  -1.471   2.547  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -0.234  -0.144   2.412  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.297   0.519   1.178  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.692  -2.291  -1.066  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -0.814  -3.517  -1.338  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -3.162  -2.695  -0.926  0.00  0.00    +0.012 C 
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1       -0.580  -2.157   3.900  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -1.959  -2.601   4.394  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1        0.396  -3.336   3.871  0.00  0.00    +0.012 C 
ENDBRANCH   4  10
BRANCH   6  13
ATOM     13  C   LIG    1        0.205   1.911   1.101  0.00  0.00    -0.040 C 
ATOM     14  C   LIG    1        1.359   2.253   0.492  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -0.654   2.939   1.789  0.00  0.00    +0.044 C 
BRANCH  14  16
ATOM     16  C   LIG    1        2.287   1.357  -0.171  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        3.422   1.782  -0.753  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.406   0.949  -1.451  0.00  0.00    -0.044 C 
ATOM     19  C   LIG    1        5.444   1.563  -2.056  0.00  0.00    +0.094 C 
ATOM     20  C   LIG    1        4.209  -0.547  -1.415  0.00  0.00    +0.044 C 
BRANCH  19  21
ATOM     21  C   LIG    1        6.524   0.956  -2.846  0.00  0.00    +0.330 C 
ATOM     22  O   LIG    1        7.658   1.396  -2.909  0.00  0.00    -0.246 OA
BRANCH  21  23
ATOM     23  O   LIG    1        6.133  -0.087  -3.591  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1        6.941  -0.339  -4.084  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  18
ENDBRANCH  14  16
ENDBRANCH   6  13
BRANCH   1  25
ATOM     25  O   LIG    1       -0.866   0.468  -1.157  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.111   1.163  -1.317  0.00  0.00    +0.229 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.872   2.323  -2.281  0.00  0.00    +0.041 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.708   3.864  -1.417  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -3.136   3.115  -2.611  0.00  0.00    -0.000 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 11