REMARK  Name = BDB058920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.532   0.454   0.970  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.683   1.048   0.479  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.621   1.603  -0.377  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.562  -0.589   1.620  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.172   0.906   0.385  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.928   0.342   0.690  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -0.758   1.114   0.635  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.835   2.468   0.291  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.073   3.032  -0.013  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.234   2.255   0.030  0.00  0.00    +0.023 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -5.604   0.366   0.212  0.00  0.00    +0.405 C 
ATOM     12  N   LIG    1       -4.294   0.064   0.459  0.00  0.00    -0.251 N 
ATOM     13  H   LIG    1       -4.152  -0.899   0.728  0.00  0.00    +0.158 HD
ATOM     14  O   LIG    1       -6.071   1.440  -0.127  0.00  0.00    -0.226 OA
BRANCH  11  15
ATOM     15  O   LIG    1       -6.328  -0.765   0.413  0.00  0.00    -0.444 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -8.462   0.171   1.218  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -7.768  -0.773   0.230  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -8.193  -2.214   0.550  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1       -8.147  -0.463  -1.223  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        2.948   0.158   0.545  0.00  0.00    -0.108 NA
ATOM     21  H   LIG    1        2.745  -0.682   1.112  0.00  0.00    +0.172 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.491  -0.358  -0.997  0.00  0.00    +0.074 S 
ATOM     23  O   LIG    1        3.173  -1.763  -1.112  0.00  0.00    -0.152 OA
ATOM     24  O   LIG    1        3.017   0.617  -1.960  0.00  0.00    -0.152 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.243  -0.175  -0.824  0.00  0.00    +0.107 A 
ATOM     26  C   LIG    1        6.032  -1.292  -0.534  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        7.424  -1.158  -0.416  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        8.019   0.114  -0.601  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        9.412   0.243  -0.481  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       10.208  -0.865  -0.184  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.623  -2.114  -0.003  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.207   1.220  -0.904  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1        8.239  -2.261  -0.119  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1        5.824   1.079  -1.020  0.00  0.00    +0.029 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 7