REMARK  Name = BDB024066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.048   0.849   1.820  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        0.753   0.225   0.669  0.00  0.00    +0.012 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.604   0.188   0.106  0.00  0.00    -0.024 A 
ATOM      4  C   LIG    1       -1.430   1.315   0.086  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -2.715   1.268  -0.485  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.494   2.552  -0.555  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -3.200   0.046  -0.979  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -2.333  -1.054  -1.094  0.00  0.00    -0.008 A 
ATOM      9  C   LIG    1       -2.698  -2.316  -1.825  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1       -1.052  -0.979  -0.518  0.00  0.00    +0.015 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.462  -0.024  -1.507  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.540  -0.434  -0.616  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -5.384  -1.854  -0.064  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -5.813   0.560   0.516  0.00  0.00    +0.067 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -6.792  -0.439  -1.518  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1       -7.918  -0.743  -1.146  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -6.537  -0.068  -2.799  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -5.578   0.133  -2.890  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  19
ATOM     19  C   LIG    1        2.400   0.904   2.437  0.00  0.00    +0.189 C 
ATOM     20  O   LIG    1        2.526   1.208   3.619  0.00  0.00    -0.287 OA
BRANCH  19  22
ATOM     21  C   LIG    1        4.069   1.267   0.581  0.00  0.00    +0.108 A 
ATOM     22  C   LIG    1        3.588   0.528   1.658  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.278  -0.617   2.060  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.410  -1.026   1.350  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.814  -0.245   0.248  0.00  0.00    +0.072 A 
ATOM     26  C   LIG    1        6.934  -0.650  -0.465  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        7.654  -1.795  -0.115  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.253  -2.560   0.975  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.133  -2.177   1.709  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        5.159   0.870  -0.124  0.00  0.00    -0.240 NA
BRANCH  21  32
ATOM     31  C   LIG    1        4.488   3.367  -1.193  0.00  0.00    +0.091 C 
ATOM     32  S   LIG    1        3.303   2.800   0.056  0.00  0.00    -0.109 S 
ENDBRANCH  21  32
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 8