REMARK  Name = BDB015491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.710   0.405   0.761  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.357   0.006  -0.461  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.684   0.915  -1.177  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        0.385   2.161  -0.779  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.759   2.510   0.467  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.428   1.639   1.299  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.397   3.879   0.916  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.762   4.412   0.487  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.182   5.678   0.864  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.459   6.158   0.357  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.439   6.493   1.715  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -0.790   7.609   2.088  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.871   5.929   2.175  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.708   6.804   3.052  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        1.236   4.698   1.779  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.354  -0.587   1.539  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.012  -0.220   2.225  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.311  -1.651   2.326  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        1.692  -1.554   3.721  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -0.059  -1.431   1.921  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        1.872  -3.238   1.728  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.717  -3.424   0.226  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.045  -5.038  -1.689  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        2.212  -4.807  -0.197  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1        0.280   0.601  -2.464  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.149  -0.691  -2.662  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        0.465  -1.473  -3.641  0.00  0.00    +0.083 A 
ATOM     28 CL   LIG    1        1.820  -0.894  -4.539  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -0.018  -2.753  -3.909  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -1.118  -3.250  -3.204  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.751  -2.475  -2.221  0.00  0.00    -0.041 A 
ATOM     32  C   LIG    1       -1.259  -1.186  -1.964  0.00  0.00    +0.051 A 
BRANCH  31  33
ATOM     33  C   LIG    1       -2.950  -3.034  -1.474  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -4.217  -2.230  -1.772  0.00  0.00    +0.012 C 
ATOM     35  C   LIG    1       -2.695  -3.111   0.034  0.00  0.00    +0.012 C 
ENDBRANCH  31  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9