REMARK  Name = BDB027178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.021  -0.233   1.030  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -0.490  -1.488   0.757  0.00  0.00    +0.143 A 
ATOM      3  N   LIG    1       -1.560  -1.691  -0.048  0.00  0.00    -0.219 NA
ATOM      4  C   LIG    1       -2.156  -0.591  -0.564  0.00  0.00    +0.221 A 
ATOM      5  C   LIG    1       -1.705   0.707  -0.340  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -0.597   0.890   0.483  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        1.420  -0.068   2.078  0.00  0.00    +0.060 S 
ATOM      8  O   LIG    1        1.199   1.082   2.924  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        1.756  -1.365   2.620  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1        2.617   0.365   0.998  0.00  0.00    -0.185 NA
ATOM     11  H   LIG    1        3.096   1.244   1.199  0.00  0.00    +0.148 HD
BRANCH  10  14
ATOM     12  N   LIG    1        5.181   0.601  -0.596  0.00  0.00    -0.268 N 
ATOM     13  C   LIG    1        3.906  -0.015  -1.068  0.00  0.00    +0.136 C 
ATOM     14  C   LIG    1        3.304  -0.657   0.189  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1        4.547  -1.162   0.906  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1        5.583  -0.067   0.674  0.00  0.00    +0.118 C 
BRANCH  12  18
ATOM     17  N   LIG    1        6.744   1.867  -2.072  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1        6.020   1.283  -1.385  0.00  0.00    +0.169 C 
ENDBRANCH  12  18
ENDBRANCH  10  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  O   LIG    1       -3.217  -0.829  -1.411  0.00  0.00    -0.438 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.423  -0.279  -1.040  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1       -4.930  -0.376   0.259  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -6.172   0.184   0.561  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.910   0.825  -0.435  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.413   0.899  -1.737  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.172   0.339  -2.042  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6