REMARK  Name = BDB061109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.088   0.352   0.251  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1       -4.485  -0.785   0.830  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -3.544  -1.735   0.948  0.00  0.00    +0.272 A 
ATOM      4  N   LIG    1       -2.260  -1.684   0.555  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1       -1.889  -0.524  -0.021  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -2.783   0.525  -0.184  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.479  -0.446  -0.451  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.104   0.233  -1.629  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.249   0.303  -2.026  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        1.917   0.899  -3.129  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        3.261   0.641  -2.995  0.00  0.00    +0.087 A 
ATOM     12  N   LIG    1        3.436  -0.094  -1.850  0.00  0.00    -0.347 N 
ATOM     13  C   LIG    1        2.219  -0.318  -1.237  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        1.885  -1.006  -0.064  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        0.534  -1.058   0.305  0.00  0.00    +0.012 A 
BRANCH  12  16
ATOM     16  C   LIG    1        4.728  -0.572  -1.375  0.00  0.00    +0.123 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.368   0.403  -0.395  0.00  0.00    +0.037 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.585  -0.160   0.351  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  N   LIG    1        7.798  -0.501  -0.396  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1        7.799  -1.834  -0.979  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        8.225   0.518  -1.344  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   5   7
BRANCH   3  22
ATOM     22  S   LIG    1       -4.083  -3.265   1.687  0.00  0.00    +0.029 S 
ATOM     23  O   LIG    1       -5.132  -3.834   0.855  0.00  0.00    -0.167 OA
ATOM     24  O   LIG    1       -4.294  -3.040   3.108  0.00  0.00    -0.167 OA
ATOM     25  C   LIG    1       -2.680  -4.339   1.540  0.00  0.00    +0.204 C 
ENDBRANCH   3  22
BRANCH   1  26
ATOM     26  N   LIG    1       -4.978   1.431   0.116  0.00  0.00    -0.329 N 
ATOM     27  H   LIG    1       -4.962   1.771  -0.842  0.00  0.00    +0.147 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -6.340   1.168   0.578  0.00  0.00    +0.103 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.202   2.424   0.416  0.00  0.00    +0.018 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -6.755   3.405   2.732  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -6.736   3.636   1.229  0.00  0.00    -0.002 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 10