REMARK  Name = BDB052587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.884  -1.186   1.038  0.00  0.00    +0.138 A 
ATOM      2  C   LIG    1       -1.511  -1.198   1.251  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.719  -0.634   0.266  0.00  0.00    +0.117 A 
ATOM      4  N   LIG    1       -1.240  -0.089  -0.854  0.00  0.00    -0.215 NA
ATOM      5  C   LIG    1       -2.571  -0.104  -0.974  0.00  0.00    +0.191 A 
ATOM      6  N   LIG    1       -3.408  -0.630  -0.071  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.168  -1.729   1.629  0.00  0.00    +0.127 C 
ATOM      8  N   LIG    1       -3.767  -1.686   2.017  0.00  0.00    -0.331 N 
ATOM      9  H   LIG    1       -3.430  -2.598   2.333  0.00  0.00    +0.147 HD
ENDBRANCH   1   8
BRANCH   2  10
ATOM     10  C   LIG    1       -0.939  -1.746   2.483  0.00  0.00    +0.343 C 
ATOM     11  O   LIG    1       -0.181  -1.184   3.249  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -1.336  -3.019   2.686  0.00  0.00    -0.477 OA
ATOM     13  H   LIG    1       -0.859  -3.279   3.506  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   2  10
BRANCH   5  14
ATOM     14  S   LIG    1       -3.321   0.605  -2.420  0.00  0.00    -0.089 S 
ATOM     15  C   LIG    1       -1.851   1.150  -3.321  0.00  0.00    +0.093 C 
ENDBRANCH   5  14
BRANCH   3  16
ATOM     16  S   LIG    1        1.071  -0.677   0.317  0.00  0.00    -0.100 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.453   0.856  -0.588  0.00  0.00    +0.111 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.932   1.156  -0.559  0.00  0.00    -0.037 A 
ATOM     19  C   LIG    1        3.490   1.886   0.500  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.859   2.156   0.530  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.684   1.697  -0.494  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.143   0.963  -1.548  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.774   0.690  -1.579  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 7