REMARK  Name = BDB050246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.686   2.803   0.027  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.109   0.801  -1.292  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -4.037   2.196  -1.218  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.868   2.817  -0.771  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.759   2.062  -0.383  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.828   0.671  -0.454  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.996   0.046  -0.903  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -5.378   0.119  -1.754  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.262  -0.314  -0.576  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -7.681  -0.492  -1.117  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -8.501   0.403  -1.262  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -7.986  -1.752  -1.485  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -8.907  -1.699  -1.810  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -5.716  -1.509  -0.006  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -7.243  -1.828   1.881  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -5.819  -1.585   1.413  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        0.461   2.120   0.544  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.438   1.758  -0.588  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.582   0.938  -0.150  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.527   1.692   0.688  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        4.641   0.779   1.236  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        5.206  -0.144   0.185  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        4.577  -0.292  -0.994  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        3.281   0.391  -1.327  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        6.466  -0.853   0.467  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.536  -2.249   0.342  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        7.725  -2.932   0.615  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        8.854  -2.221   1.014  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       10.319  -3.058   1.350  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        8.803  -0.835   1.144  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.612  -0.154   0.872  0.00  0.00    +0.009 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11