REMARK  Name = BDB015365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.031   2.548  -1.380  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.588   1.923  -0.285  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.721   2.669   0.765  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        0.208   4.011   0.394  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -0.504   3.871  -0.948  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.989   0.623  -0.403  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        0.944  -0.208   0.822  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        2.352  -0.456   1.391  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.215  -1.244   0.473  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.849  -0.975  -0.941  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        2.231   0.414  -1.193  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.624  -0.894   0.711  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.079  -1.427   2.098  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        6.377  -1.889   1.401  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        5.547  -1.986   0.103  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -0.185   0.709  -3.189  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -0.920   1.811  -2.605  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -1.439   2.862  -3.462  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.311   1.119  -1.730  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -2.221  -0.176  -1.213  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -3.311  -0.746  -0.540  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -3.164  -2.127   0.051  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -4.499  -2.773   0.414  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.376  -1.791   1.179  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.704  -0.579   0.309  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1       -4.495  -0.000  -0.386  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -4.584   1.284  -0.948  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -3.499   1.843  -1.623  0.00  0.00    +0.029 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4