REMARK  Name = BDB016544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.181  -0.982   0.625  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        0.113  -0.298   0.395  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.226   0.483  -0.752  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        1.419   1.164  -1.036  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.501   1.042  -0.162  0.00  0.00    +0.106 A 
ATOM      6  C   LIG    1        2.394   0.271   0.998  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.920   0.603  -1.671  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -0.801   1.284  -2.687  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -2.072  -0.081  -1.310  0.00  0.00    -0.224 N 
ATOM     10  C   LIG    1        1.199  -0.400   1.277  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -2.190  -0.858  -0.182  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   5  12
ATOM     12  S   LIG    1        4.007   1.918  -0.511  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1        3.655   3.151  -1.179  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        4.815   1.906   0.688  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1        4.689   0.908  -1.694  0.00  0.00    -0.184 NA
ATOM     16  H   LIG    1        4.615   1.387  -2.595  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        6.048   0.385  -1.425  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1        7.044   0.380  -2.566  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1        7.235   1.318  -1.413  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        6.061  -0.817  -0.514  0.00  0.00    +0.029 C 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  C   LIG    1       -1.339  -1.849   1.882  0.00  0.00    +0.217 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.541  -2.603   1.884  0.00  0.00    -0.371 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -1.996  -4.227   3.620  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.922  -3.103   3.167  0.00  0.00    +0.113 C 
ATOM     25  C   LIG    1       -4.353  -3.613   3.039  0.00  0.00    +0.037 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   9  26
ATOM     26  C   LIG    1       -3.278   0.061  -2.120  0.00  0.00    +0.185 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.102   1.180  -1.588  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -4.203   2.475  -2.057  0.00  0.00    +0.113 A 
ATOM     29  N   LIG    1       -5.077   3.116  -1.229  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1       -5.497   4.493  -1.308  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -5.564   2.329  -0.253  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1       -4.962   1.156  -0.467  0.00  0.00    +0.139 A 
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 8