REMARK  Name = BDB050248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.141  -0.902  -1.536  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.514   0.393   0.018  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.753   1.175  -0.855  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.536   0.698  -1.349  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.061  -0.561  -0.980  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.817  -1.346  -0.111  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.037  -0.872   0.385  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.838   0.895   0.540  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.047   0.291  -0.185  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.136   0.775  -1.629  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        6.237   0.060  -2.616  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.139   2.117  -1.769  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        6.272   2.249  -2.731  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        7.255   0.669   0.492  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        8.922   0.221   2.138  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        7.686  -0.307   1.437  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       -0.705  -2.159  -1.159  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.063  -2.353  -1.863  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.229  -1.607  -1.360  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.046  -0.151  -1.381  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -4.387   0.567  -1.137  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -5.145  -0.035   0.019  0.00  0.00    -0.040 C 
ATOM     23  C   LIG    1       -4.807  -1.236   0.519  0.00  0.00    -0.007 C 
ATOM     24  C   LIG    1       -3.689  -2.069  -0.045  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.246   0.746   0.602  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1       -7.539   0.783   0.053  0.00  0.00    +0.048 A 
ATOM     27 CL   LIG    1       -7.962  -0.109  -1.367  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -8.542   1.548   0.659  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -8.268   2.278   1.816  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.991   2.244   2.371  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.987   1.482   1.770  0.00  0.00    +0.009 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11