REMARK  Name = BDB011468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868   1.196   0.511  0.00  0.00    +0.181 C 
ATOM      2  C   LIG    1       -0.190   0.424   1.318  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1        0.164  -0.309   2.246  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.522   0.553   0.915  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -1.984   1.528  -0.028  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -1.524   2.856  -0.058  0.00  0.00    +0.110 A 
ATOM      7  C   LIG    1       -1.982   3.765  -1.025  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -2.909   3.358  -1.979  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.389   2.054  -1.958  0.00  0.00    +0.002 A 
ATOM     10  S   LIG    1       -0.474   3.472   1.229  0.00  0.00    +0.001 S 
ATOM     11  O   LIG    1       -1.082   3.086   2.488  0.00  0.00    -0.169 OA
ATOM     12  O   LIG    1       -0.209   4.872   0.953  0.00  0.00    -0.169 OA
ATOM     13  C   LIG    1       -2.935   1.152  -0.989  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.050   2.602   1.039  0.00  0.00    +0.203 C 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        3.123   0.588  -0.358  0.00  0.00    +0.230 C 
ATOM     16  N   LIG    1        2.127   0.456   0.583  0.00  0.00    -0.301 N 
ATOM     17  H   LIG    1        2.186  -0.365   1.190  0.00  0.00    +0.150 HD
ATOM     18  O   LIG    1        3.068   1.423  -1.255  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1        4.321  -0.362  -0.118  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1        5.173  -0.473  -1.380  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1        4.813  -2.486   0.983  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1        3.794  -1.674   0.332  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1        3.426  -2.178  -0.477  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   4  24
ATOM     24  C   LIG    1       -2.527  -0.263   1.617  0.00  0.00    +0.149 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.850  -1.586   0.953  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -1.848  -2.513   0.634  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.170  -3.733   0.035  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.498  -4.047  -0.242  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.508  -3.146   0.088  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.187  -1.927   0.687  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 5