REMARK  Name = BDB057377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.886   0.624   0.785  0.00  0.00    +0.071 C 
ATOM      2  C   LIG    1       -3.585   0.089   0.295  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -2.675   1.130   0.185  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.359   0.934  -0.191  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1       -0.947  -0.367  -0.478  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.864  -1.428  -0.361  0.00  0.00    +0.046 A 
ATOM      7  O   LIG    1       -3.197   2.357   0.507  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1       -3.188  -1.210   0.036  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -4.622   2.120   0.539  0.00  0.00    +0.238 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.131   0.150   0.039  0.00  0.00    +0.132 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -6.302  -1.725   1.571  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1       -6.600  -1.206   0.507  0.00  0.00    +0.305 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -7.441  -1.799  -0.371  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1       -7.612  -1.282  -1.181  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        0.307  -0.753  -0.865  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.326   0.237  -1.005  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.007   0.538   0.331  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.697  -0.691   0.924  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.734  -1.173   0.067  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.989  -0.646   0.177  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        5.937  -1.238  -0.663  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        7.258  -0.794  -0.658  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        8.414  -1.532  -1.696  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        7.648   0.245   0.183  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.708   0.841   1.021  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.381   0.398   1.017  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 9