REMARK  Name = BDB050268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.192  -0.694  -2.465  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.082   0.572   0.280  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -4.095   0.965  -1.062  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.107   0.513  -1.940  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.091  -0.337  -1.500  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.069  -0.726  -0.162  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.058  -0.275   0.721  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -5.149   1.054   1.241  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.556   0.473   1.011  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.519  -1.061   0.993  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -6.958  -1.805   0.130  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -5.991  -1.589   2.120  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -6.040  -2.556   1.956  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -7.112   1.079  -0.160  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -9.230   2.086   0.434  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -8.526   0.945  -0.279  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       -0.197  -1.668  -2.153  0.00  0.00    +0.230 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.058  -0.994  -1.598  0.00  0.00    +0.056 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.142  -2.032  -1.291  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.409  -1.527  -0.753  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        3.268  -0.788   0.505  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1        4.644  -0.556   1.159  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1        5.688  -0.100   0.167  0.00  0.00    -0.042 C 
ATOM     24  C   LIG    1        5.451  -0.184  -1.156  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1        4.187  -0.759  -1.732  0.00  0.00    +0.112 C 
BRANCH  23  26
ATOM     26  C   LIG    1        6.952   0.457   0.677  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1        8.180  -0.080   0.263  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        9.385   0.438   0.747  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        9.368   1.499   1.648  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       10.849   2.139   2.244  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        8.158   2.045   2.069  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.954   1.525   1.585  0.00  0.00    +0.009 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12