REMARK  Name = BDB054700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.675  -0.146   0.045  0.00  0.00    +0.179 C 
ATOM      2  O   LIG    1       -3.077   0.111   0.265  0.00  0.00    -0.461 OA
ATOM      3  C   LIG    1       -3.389   0.944   1.295  0.00  0.00    +0.310 C 
ATOM      4  O   LIG    1       -2.593   1.359   2.126  0.00  0.00    -0.251 OA
ATOM      5  C   LIG    1       -4.860   1.263   1.316  0.00  0.00    +0.156 C 
ATOM      6  C   LIG    1       -5.457   1.429  -0.080  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -4.805   2.530  -0.867  0.00  0.00    +0.003 C 
ATOM      8  C   LIG    1       -3.930   2.406  -1.881  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -3.379   1.143  -2.483  0.00  0.00    +0.166 C 
ATOM     10  C   LIG    1       -1.844   0.992  -2.260  0.00  0.00    +0.150 C 
ATOM     11  C   LIG    1       -1.448  -0.269  -1.470  0.00  0.00    +0.079 C 
ENDROOT
BRANCH   6  12
ATOM     12  O   LIG    1       -6.832   1.793   0.050  0.00  0.00    -0.387 OA
ATOM     13  H   LIG    1       -7.322   0.995   0.309  0.00  0.00    +0.210 HD
ENDBRANCH   6  12
BRANCH   9  14
ATOM     14  O   LIG    1       -3.641   1.247  -3.890  0.00  0.00    -0.385 OA
ATOM     15  H   LIG    1       -3.189   0.482  -4.294  0.00  0.00    +0.210 HD
ENDBRANCH   9  14
BRANCH  10  16
ATOM     16  O   LIG    1       -1.189   0.906  -3.541  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -1.489   1.692  -4.040  0.00  0.00    +0.210 HD
ENDBRANCH  10  16
BRANCH   1  18
ATOM     18  C   LIG    1       -1.315  -1.432   0.806  0.00  0.00    +0.045 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.142  -1.892   0.698  0.00  0.00    +0.004 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.143  -0.849   1.202  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.577  -1.383   1.307  0.00  0.00    +0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.198  -1.715  -0.052  0.00  0.00    -0.000 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.631  -2.251   0.049  0.00  0.00    -0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.657  -1.312   0.689  0.00  0.00    -0.000 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.912   0.869   0.561  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        5.800   0.024  -0.041  0.00  0.00    -0.003 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11