REMARK  Name = BDB014548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.615   2.539   1.416  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.293   2.376   0.388  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.300   1.435  -0.002  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.555   3.448   2.238  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.749   1.512   1.415  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        1.358   0.353   0.677  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1        4.397  -1.762   0.930  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.551  -0.666   1.135  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        2.275  -0.655   0.571  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        1.845  -1.756  -0.177  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        2.678  -2.859  -0.363  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.954  -2.864   0.196  0.00  0.00    +0.025 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.734  -1.977   2.981  0.00  0.00    +0.157 C 
ATOM     14  N   LIG    1        5.717  -1.837   1.504  0.00  0.00    -0.211 N 
BRANCH  14  15
ATOM     15  S   LIG    1        6.862  -0.705   0.919  0.00  0.00    +0.042 S 
ATOM     16  O   LIG    1        8.133  -1.010   1.545  0.00  0.00    -0.155 OA
ATOM     17  O   LIG    1        6.303   0.628   1.008  0.00  0.00    -0.155 OA
ATOM     18  C   LIG    1        6.990  -1.165  -0.797  0.00  0.00    +0.218 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.561   3.090   0.375  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.083   3.326  -1.053  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.191   4.220  -1.738  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.292   4.006  -1.421  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.228   2.043  -1.903  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.965   0.939  -1.265  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.394   1.280  -1.090  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.240   0.123  -0.600  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.806  -1.205  -0.749  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -5.620  -2.259  -0.312  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.870  -1.997   0.246  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.314  -0.683   0.377  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.440  -1.489  -1.319  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.505   0.372  -0.046  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -2.857  -0.287  -2.075  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10