REMARK  Name = BDB057379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.526  -0.483  -0.798  0.00  0.00    +0.071 C 
ATOM      2  C   LIG    1        3.133  -0.846  -0.417  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1        2.306   0.251  -0.602  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        0.964   0.232  -0.271  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        0.436  -0.952   0.247  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        1.273  -2.072   0.422  0.00  0.00    +0.046 A 
ATOM      7  O   LIG    1        2.956   1.344  -1.115  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1        2.632  -2.027   0.095  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        4.209   0.795  -1.595  0.00  0.00    +0.238 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        5.381  -0.214   0.442  0.00  0.00    +0.132 C 
BRANCH  10  12
ATOM     11  O   LIG    1        7.254   0.074  -1.069  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1        6.810   0.085   0.068  0.00  0.00    +0.305 C 
BRANCH  12  13
ATOM     13  O   LIG    1        7.578   0.371   1.144  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1        7.097   0.350   1.993  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1       -0.863  -1.164   0.619  0.00  0.00    -0.488 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.791  -0.083   0.517  0.00  0.00    +0.270 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.417  -0.017  -0.876  0.00  0.00    +0.270 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -3.358   1.052  -0.969  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -4.655   0.819  -0.608  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -5.174  -0.369  -0.092  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1       -6.530  -0.459   0.240  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -7.373   0.636   0.059  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.861   1.825  -0.454  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.507   1.913  -0.784  0.00  0.00    +0.045 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 8