REMARK  Name = BDB046260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.131   0.911  -0.751  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -2.147   0.413   0.089  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -1.998  -0.927   0.535  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.963  -1.782   0.113  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -0.057  -1.267  -0.824  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.117   0.066  -1.255  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.397   1.203   0.559  0.00  0.00    -0.007 C 
ATOM      8  C   LIG    1       -3.214   1.523   2.063  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1       -3.663   2.550  -0.157  0.00  0.00    +0.016 C 
BRANCH   7  10
ATOM     10  C   LIG    1       -4.709   0.356   0.406  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1       -5.038  -0.074  -1.021  0.00  0.00    +0.005 C 
ENDBRANCH   7  10
ENDBRANCH   2   7
BRANCH   4  12
ATOM     12  C   LIG    1       -0.837  -3.246   0.596  0.00  0.00    -0.010 C 
ATOM     13  C   LIG    1       -1.711  -3.543   1.839  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1        0.626  -3.533   1.014  0.00  0.00    +0.016 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -1.267  -4.168  -0.584  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -1.217  -5.668  -0.314  0.00  0.00    +0.005 C 
ENDBRANCH  12  15
ENDBRANCH   4  12
BRANCH   6  17
ATOM     17  C   LIG    1        0.876   0.515  -2.264  0.00  0.00    -0.040 C 
ATOM     18  C   LIG    1        2.199   0.622  -2.022  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        0.298   0.832  -3.619  0.00  0.00    +0.044 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.873   0.373  -0.761  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        4.205   0.467  -0.614  0.00  0.00    +0.003 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.963   0.237   0.622  0.00  0.00    -0.044 C 
ATOM     23  C   LIG    1        6.296   0.440   0.592  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1        4.188  -0.224   1.832  0.00  0.00    +0.044 C 
BRANCH  23  25
ATOM     25  C   LIG    1        7.243   0.298   1.712  0.00  0.00    +0.330 C 
ATOM     26  O   LIG    1        7.018   0.101   2.888  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        8.500   0.434   1.254  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        9.050   0.329   2.058  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  22
ENDBRANCH  18  20
ENDBRANCH   6  17
BRANCH   1  29
ATOM     29  O   LIG    1       -1.124   2.230  -1.135  0.00  0.00    -0.491 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -0.228   2.991  -0.310  0.00  0.00    +0.229 C 
BRANCH  30  32
ATOM     31  C   LIG    1        0.823   5.273  -0.114  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -0.102   4.382  -0.923  0.00  0.00    +0.038 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 12