REMARK  Name = BDB058845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.086  -1.149  -0.284  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.127  -2.058  -0.729  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.369  -1.251  -0.009  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1       -1.212  -0.568   0.329  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -1.234   0.454   0.342  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -2.338  -2.356  -0.547  0.00  0.00    -0.269 OA
BRANCH   3  11
ATOM      7  C   LIG    1       -7.451   1.370   0.953  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -6.136   0.679   0.735  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -5.002   1.069   1.457  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.768   0.449   1.234  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.656  -0.560   0.270  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.789  -0.952  -0.454  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -6.019  -0.329  -0.228  0.00  0.00    +0.004 A 
ENDBRANCH   3  11
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  S   LIG    1        0.794  -0.128  -1.462  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        0.360   1.224  -1.169  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.567  -0.741  -2.752  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.511  -0.270  -1.053  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1        3.032   0.506  -0.013  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.394   0.422   0.312  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        5.233  -0.447  -0.426  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        6.595  -0.527  -0.097  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        7.124   0.237   0.945  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.299   1.092   1.669  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.689  -1.208  -1.475  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.942   1.185   1.356  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        3.333  -1.119  -1.793  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4