REMARK  Name = BDB015698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.554   0.059   0.207  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.459  -0.434  -0.374  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1        0.537   0.440  -0.546  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1        0.516   1.723  -0.166  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -0.591   2.156   0.468  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -1.687   1.345   0.667  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.571   3.574   0.901  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.046   3.920   2.113  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.044   5.233   2.563  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.577   5.514   3.887  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.537   6.282   1.800  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -0.519   7.462   2.141  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        0.022   5.903   0.477  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.001   4.627   0.074  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1       -2.583  -0.891   0.393  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -3.536  -0.541   0.327  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.430  -1.851   1.764  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -1.779  -1.073   2.797  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.756  -2.391   1.985  0.00  0.00    -0.155 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -1.186  -4.208   2.354  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1       -1.342  -3.192   1.225  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -1.858  -3.867  -0.041  0.00  0.00    +0.033 C 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1        1.693   0.054  -1.185  0.00  0.00    -0.459 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.808  -1.348  -1.461  0.00  0.00    +0.177 C 
ATOM     25  C   LIG    1        3.312  -1.673  -1.529  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        3.865  -1.510  -2.940  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        3.183  -2.458  -3.929  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        1.749  -2.814  -3.536  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        1.079  -1.678  -2.777  0.00  0.00    +0.044 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6