REMARK  Name = BDB046255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.101   0.118  -0.212  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.960  -0.854   0.332  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -2.059  -2.093  -0.337  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -1.300  -2.391  -1.478  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -0.407  -1.425  -1.955  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.288  -0.174  -1.331  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.801  -0.684   1.592  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -2.168   0.138   2.718  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -4.201  -0.166   1.254  0.00  0.00    +0.012 C 
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1       -1.439  -3.748  -2.145  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -1.888  -3.619  -3.603  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -0.143  -4.556  -2.043  0.00  0.00    +0.012 C 
ENDBRANCH   4  10
BRANCH   6  13
ATOM     13  C   LIG    1        0.722   0.771  -1.867  0.00  0.00    -0.040 C 
ATOM     14  C   LIG    1        1.861   1.090  -1.218  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        0.413   1.337  -3.228  0.00  0.00    +0.044 C 
BRANCH  14  16
ATOM     16  C   LIG    1        2.291   0.590   0.074  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        3.445   0.961   0.654  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.938   0.513   1.959  0.00  0.00    -0.044 C 
ATOM     19  C   LIG    1        5.131   0.972   2.385  0.00  0.00    +0.094 C 
ATOM     20  C   LIG    1        3.079  -0.443   2.752  0.00  0.00    +0.044 C 
BRANCH  19  21
ATOM     21  C   LIG    1        5.722   0.624   3.689  0.00  0.00    +0.330 C 
ATOM     22  O   LIG    1        5.189   0.810   4.767  0.00  0.00    -0.246 OA
BRANCH  21  23
ATOM     23  O   LIG    1        6.950   0.091   3.533  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1        7.190  -0.079   2.603  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       -0.981   1.339   0.403  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.750   2.349  -0.261  0.00  0.00    +0.229 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -1.760   4.810  -0.801  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -1.000   3.671  -0.146  0.00  0.00    +0.038 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10