REMARK  Name = BDB058885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.307  -0.405  -0.902  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.423  -1.417  -1.001  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -1.548   0.265   1.173  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1       -0.362   0.198   0.467  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        0.465   0.092   1.052  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -1.536   0.296   2.401  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1       -5.153  -0.440   0.327  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.915  -0.433   0.975  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -2.836   0.279   0.439  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -3.007   1.020  -0.734  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -4.241   1.014  -1.383  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.310   0.282  -0.857  0.00  0.00    +0.045 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.410  -1.188   0.356  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -6.117  -1.187   0.947  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  S   LIG    1        0.692   0.284  -2.089  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.193   1.608  -2.391  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        0.866  -0.721  -3.115  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.233   0.453  -1.224  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        3.122  -0.626  -1.187  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        4.342  -0.507  -0.504  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        4.666   0.715   0.135  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        5.886   0.828   0.819  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.776  -0.246   0.872  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.459  -1.446   0.242  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.764   1.791   0.069  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        5.250  -1.576  -0.443  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.553   1.666  -0.612  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5