REMARK  Name = BDB033425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.599  -2.274  -2.258  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.022  -2.778  -3.041  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.413   2.567  -0.832  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.700   1.281  -1.155  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.201   0.396  -0.161  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.547  -0.773  -0.566  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.192  -1.464   0.573  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.724  -2.362   0.566  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.550  -0.760   1.688  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.352  -1.107  -1.910  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.841  -0.234  -2.879  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.181   0.393   1.270  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.504   0.934  -2.509  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.705   1.387   2.155  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.126   2.195   2.873  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.023  -1.964  -2.739  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.969  -1.141  -3.931  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.682  -3.255  -2.775  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.834  -1.003  -1.474  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.291  -1.817  -0.039  0.00  0.00    -0.045 S 
ATOM     21  C   LIG    1        2.802  -0.326   0.621  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1        2.616   0.685  -0.297  0.00  0.00    +0.130 A 
ATOM     23  N   LIG    1        2.052   0.300  -1.499  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.381  -0.164   2.050  0.00  0.00    +0.117 A 
ATOM     25  N   LIG    1        3.527  -1.203   2.936  0.00  0.00    -0.216 NA
ATOM     26  C   LIG    1        4.042  -0.626   3.999  0.00  0.00    +0.308 A 
ATOM     27  O   LIG    1        4.243   0.716   3.889  0.00  0.00    -0.450 OA
ATOM     28  C   LIG    1        3.812   1.005   2.627  0.00  0.00    +0.225 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5