REMARK  Name = BDB031310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.305  -1.804  -1.516  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1       -1.538  -1.209  -0.286  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1       -0.886  -1.444   0.453  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.937  -1.614  -2.551  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.535  -0.266   0.044  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.526   0.225   1.361  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -3.491   1.146   1.699  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -4.447   1.587   0.791  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -5.265   2.505   1.439  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -6.051   3.003   1.054  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -4.824   2.645   2.762  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -5.303   3.365   3.619  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -4.489   1.129  -0.501  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -3.719   1.793   2.909  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -3.204   1.693   3.768  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -3.515   0.188  -0.871  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.146  -2.790  -1.484  0.00  0.00    +0.131 C 
BRANCH  17  21
ATOM     18  C   LIG    1        3.648  -0.904  -0.703  0.00  0.00    +0.105 A 
ATOM     19  C   LIG    1        3.157  -1.863   0.188  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        1.928  -2.474  -0.064  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.186  -2.132  -1.205  0.00  0.00    -0.039 A 
ATOM     22  C   LIG    1        1.702  -1.182  -2.101  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.933  -0.571  -1.855  0.00  0.00    +0.029 A 
BRANCH  18  24
ATOM     24  S   LIG    1        5.228  -0.151  -0.394  0.00  0.00    +0.058 S 
ATOM     25  O   LIG    1        5.713   0.409  -1.635  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        6.015  -1.081   0.386  0.00  0.00    -0.153 OA
BRANCH  24  28
ATOM     27  C   LIG    1        3.951   2.176   0.200  0.00  0.00    +0.127 C 
ATOM     28  N   LIG    1        4.832   1.106   0.633  0.00  0.00    -0.193 NA
ATOM     29  H   LIG    1        4.982   0.931   1.623  0.00  0.00    +0.148 HD
ENDBRANCH  24  28
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5