REMARK  Name = BDB058873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.118  -0.207   1.761  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.275   0.222   0.977  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.523   1.303   0.145  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.046   1.330  -0.756  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.055  -0.431   0.841  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.176   0.257   0.351  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.423  -0.386   0.231  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -3.514  -1.734   0.620  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.405  -2.417   1.123  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.179  -1.766   1.238  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.596   0.330  -0.283  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -5.393  -0.157  -1.306  0.00  0.00    +0.122 A 
ATOM     13  N   LIG    1       -6.478   0.477  -1.802  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1       -6.768   1.658  -1.239  0.00  0.00    +0.221 A 
ATOM     15  N   LIG    1       -6.084   2.242  -0.245  0.00  0.00    -0.243 NA
ATOM     16  C   LIG    1       -5.013   1.556   0.209  0.00  0.00    +0.122 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.006   1.722   0.070  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.498   1.461   0.937  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.835   1.112  -1.309  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.980   0.119  -1.929  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.326   2.248  -2.058  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.213   0.284  -0.565  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.024  -0.977   0.009  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.108  -1.633   0.592  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.370  -1.036   0.590  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.554   0.218   0.005  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.476   0.883  -0.578  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5