REMARK  Name = BDB057382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.676   0.993   0.795  0.00  0.00    +0.071 C 
ATOM      2  C   LIG    1       -3.499   0.188   0.363  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -2.582   1.020  -0.263  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.357   0.569  -0.720  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1       -1.049  -0.780  -0.546  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.972  -1.626   0.096  0.00  0.00    +0.046 A 
ATOM      7  O   LIG    1       -2.994   2.324  -0.360  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1       -3.201  -1.147   0.564  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -4.399   2.262  -0.030  0.00  0.00    +0.238 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.047   0.406   0.467  0.00  0.00    +0.132 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -6.022  -0.771   2.590  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1       -6.485  -0.634   1.469  0.00  0.00    +0.305 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -7.498  -1.404   1.011  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1       -7.790  -1.192   0.104  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        0.105  -1.403  -0.932  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.102  -0.646  -1.615  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.037   0.074  -0.648  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.676  -0.885   0.354  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.601  -0.187   1.192  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.905  -0.086   0.798  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        5.434  -0.488  -0.428  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        6.795  -0.310  -0.687  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        7.443  -0.806  -2.204  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        7.636   0.266   0.263  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        7.111   0.672   1.487  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.751   0.497   1.749  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