REMARK  Name = BDB057122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.617   0.079  -0.789  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        1.069   0.469  -2.060  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        2.320   1.068  -2.233  0.00  0.00    +0.159 A 
ATOM      4  C   LIG    1        3.175   1.275  -1.163  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        2.774   0.885   0.119  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.508   0.289   0.289  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.798  -0.440   0.815  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1       -1.534   0.079   0.488  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -0.727  -0.489  -0.520  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.256  -1.596  -1.206  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -2.513  -2.125  -0.901  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.280  -1.547   0.108  0.00  0.00    +0.007 A 
BRANCH  10  13
ATOM     13  O   LIG    1       -0.538  -2.156  -2.232  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -0.887  -3.050  -2.397  0.00  0.00    +0.292 HD
ENDBRANCH  10  13
BRANCH   7  15
ATOM     15  C   LIG    1       -3.641   0.209   1.888  0.00  0.00    +0.061 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.984   1.033   1.491  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.661   1.152   1.317  0.00  0.00    -0.030 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  O   LIG    1        0.338   0.288  -3.210  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -0.225  -0.494  -3.041  0.00  0.00    +0.292 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        2.719   1.450  -3.484  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1        1.957   1.220  -4.053  0.00  0.00    +0.292 HD
ENDBRANCH   3  20
BRANCH   5  22
ATOM     22  C   LIG    1        3.699   1.075   1.297  0.00  0.00    +0.061 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.662  -0.068   1.455  0.00  0.00    -0.030 C 
ATOM     24  C   LIG    1        5.995   0.057   1.419  0.00  0.00    +0.004 C 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 8