REMARK  Name = BDB050247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.184  -1.359   0.279  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.795   0.352  -0.946  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        3.184   0.673   0.270  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.976   0.074   0.632  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.359  -0.858  -0.205  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.962  -1.180  -1.419  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.172  -0.579  -1.786  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.114   0.980  -1.339  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.350   0.237  -0.814  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.420  -1.177  -1.394  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        6.499  -1.437  -2.585  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.394  -2.129  -0.427  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        6.295  -1.665   0.439  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        6.364   0.130   0.625  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        6.820   1.087   2.761  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        6.887   1.296   1.261  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       -0.491  -2.381  -0.458  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.415  -1.816  -1.558  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.655  -1.129  -1.159  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.425   0.048  -0.315  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -3.712   0.886  -0.192  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -4.933   0.037   0.073  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1       -4.877  -1.300  -0.080  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -3.646  -2.024  -0.553  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.172   0.697   0.522  0.00  0.00    -0.021 A 
ATOM     26  C   LIG    1       -7.375   0.488  -0.167  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -8.546   1.117   0.255  0.00  0.00    +0.042 A 
ATOM     28 CL   LIG    1      -10.015   0.852  -0.602  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -8.537   1.960   1.364  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -7.347   2.175   2.056  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.171   1.547   1.637  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11