REMARK  Name = BDB015385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.230  -1.312   0.353  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        1.151  -1.579   0.452  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        1.641  -2.281  -0.521  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        0.531  -2.520  -1.472  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -0.759  -2.106  -0.772  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.840  -1.101   1.527  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.995   0.363   1.660  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        3.217   0.867   0.855  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        4.460   0.180   1.244  0.00  0.00    -0.299 NA
ATOM     10  C   LIG    1        4.302  -1.282   1.118  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        3.084  -1.797   1.917  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        5.654   0.703   0.581  0.00  0.00    +0.088 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.653   0.620  -0.917  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1        5.145   1.760  -1.766  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        6.618   1.471  -1.707  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -1.271  -1.145   1.677  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -1.687  -2.468   2.098  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.770  -0.177   2.631  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1       -4.886   0.879  -0.291  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1       -4.977  -0.446   0.169  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.884  -1.070   0.773  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -2.686  -0.368   0.915  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -2.577   0.954   0.476  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -3.674   1.571  -0.127  0.00  0.00    +0.006 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.496   0.866  -2.232  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -6.066   1.576  -0.946  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -7.244   1.715   0.021  0.00  0.00    +0.012 C 
ENDBRANCH  19  26
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 6