REMARK  Name = BDB048473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.663  -1.496  -0.830  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -0.687  -1.815  -1.188  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.612  -3.049  -1.827  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -1.730  -3.728  -2.324  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -2.974  -3.110  -2.164  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -3.080  -1.864  -1.547  0.00  0.00    +0.049 A 
ATOM      7  N   LIG    1        0.716  -3.370  -1.825  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        1.148  -4.205  -2.203  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.950  -1.204  -1.054  0.00  0.00    +0.036 A 
ATOM     10  N   LIG    1        1.509  -2.448  -1.260  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.891   1.383   0.182  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        2.389   0.256  -0.482  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        1.163  -0.321  -0.113  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        0.448   0.237   0.952  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        0.939   1.361   1.616  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.153   1.934   1.230  0.00  0.00    +0.023 A 
BRANCH  11  18
ATOM     17  C   LIG    1        4.811   2.983   0.223  0.00  0.00    +0.293 C 
ATOM     18  N   LIG    1        4.128   1.892  -0.260  0.00  0.00    -0.275 N 
ATOM     19  H   LIG    1        4.574   1.396  -1.021  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1        4.486   3.740   1.125  0.00  0.00    -0.260 OA
BRANCH  17  23
ATOM     21  C   LIG    1        8.380   3.684  -1.701  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1        7.110   3.428  -1.023  0.00  0.00    -0.096 C 
ATOM     23  C   LIG    1        6.069   3.228  -0.457  0.00  0.00    -0.008 C 
ENDBRANCH  17  23
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1       -4.359  -1.272  -1.358  0.00  0.00    -0.216 N 
ATOM     25  H   LIG    1       -4.989  -1.245  -2.158  0.00  0.00    +0.174 HD
BRANCH  24  26
ATOM     26  S   LIG    1       -5.206  -1.663   0.055  0.00  0.00    +0.072 S 
ATOM     27  O   LIG    1       -6.541  -1.130  -0.120  0.00  0.00    -0.150 OA
ATOM     28  O   LIG    1       -4.999  -3.062   0.361  0.00  0.00    -0.150 OA
BRANCH  26  29
ATOM     29  C   LIG    1       -4.397  -0.674   1.285  0.00  0.00    +0.108 A 
ATOM     30  C   LIG    1       -3.576  -1.282   2.239  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1       -2.946  -0.495   3.204  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -3.141   0.887   3.213  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.969   1.488   2.264  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -4.606   0.709   1.298  0.00  0.00    +0.029 A 
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6