REMARK  Name = BDB015468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.788   0.473  -0.542  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.172  -0.266   0.380  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.014   0.203   0.793  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.590   1.333   0.364  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.932   2.037  -0.579  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.286   1.631  -1.083  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.626   3.253  -1.069  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.936   4.388  -1.291  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.547   5.549  -1.739  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -0.721   6.727  -1.954  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.919   5.632  -1.980  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.489   6.644  -2.381  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.704   4.385  -1.712  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.180   4.452  -1.941  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.065   3.286  -1.281  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.017  -0.065  -0.986  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.709   0.599  -1.325  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.890  -1.342  -2.066  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        0.712  -1.140  -2.882  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.192  -1.431  -2.694  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        1.657  -2.783  -1.026  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.560  -2.871   0.201  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.412  -4.247  -0.895  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.058  -3.022  -0.067  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       -1.726  -0.481   1.772  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.266  -1.738   2.079  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -1.691  -2.862   1.365  0.00  0.00    +0.083 A 
ATOM     28 CL   LIG    1       -2.781  -2.730   0.035  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -1.232  -4.127   1.731  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -0.356  -4.269   2.811  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        0.071  -3.148   3.534  0.00  0.00    -0.047 A 
ATOM     32  C   LIG    1        0.980  -3.307   4.717  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -0.407  -1.881   3.174  0.00  0.00    +0.051 A 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8