REMARK  Name = BDB057720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.370   0.991   1.940  0.00  0.00    +0.190 C 
ATOM      2  O   LIG    1       -0.310   1.644   2.979  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.292   0.448   0.390  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -1.612   0.260   1.608  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -2.119  -0.606   2.587  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -3.286  -1.323   2.340  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.945  -1.159   1.127  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -3.464  -0.281   0.154  0.00  0.00    +0.091 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -2.462   1.620  -1.689  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -1.756   1.356  -0.484  0.00  0.00    -0.494 OA
ENDBRANCH   3  10
BRANCH   7  11
ATOM     11  O   LIG    1       -5.083  -1.884   0.930  0.00  0.00    -0.507 OA
ATOM     12  H   LIG    1       -5.466  -1.654   0.068  0.00  0.00    +0.292 HD
ENDBRANCH   7  11
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1        0.826   0.900   1.060  0.00  0.00    +0.052 C 
ATOM     14  C   LIG    1        1.040  -0.068   0.156  0.00  0.00    +0.012 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.239  -0.139  -0.691  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        3.518   0.175  -0.208  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        4.639   0.068  -1.038  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        4.480  -0.364  -2.350  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        3.224  -0.693  -2.842  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.106  -0.587  -2.012  0.00  0.00    +0.011 A 
BRANCH  18  21
ATOM     21  O   LIG    1        5.544  -0.483  -3.193  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        6.348  -0.218  -2.716  0.00  0.00    +0.292 HD
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   1  13
TORSDOF 6