REMARK  Name = BDB050261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.795   1.626  -2.100  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.169   1.638   0.366  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        4.152   2.260  -0.887  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.998   2.228  -1.672  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.846   1.574  -1.228  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.859   0.955   0.020  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.013   0.985   0.810  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.422   1.646   1.214  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.328   0.435   0.932  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.716   0.707   1.528  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        8.200   1.797   1.794  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        8.459  -0.406   1.708  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        9.292  -0.074   2.102  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.717  -0.723   1.517  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.880  -2.065  -0.320  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        5.923  -1.923   0.774  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.395   0.896  -1.787  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.353   1.751  -0.937  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.642   1.157  -0.555  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.511  -0.068   0.237  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -3.871  -0.456   0.847  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -4.992  -0.410  -0.167  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1       -4.817   0.248  -1.329  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -3.545   0.965  -1.694  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.264  -1.087   0.161  0.00  0.00    -0.021 A 
ATOM     26  C   LIG    1       -6.824  -0.974   1.441  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1       -8.022  -1.626   1.762  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -8.641  -1.426   3.363  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -8.672  -2.406   0.801  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1      -10.149  -3.241   1.125  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -8.120  -2.531  -0.475  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -6.925  -1.877  -0.791  0.00  0.00    +0.010 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11