REMARK  Name = BDB001605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.087  -1.250   1.632  0.00  0.00    -0.112 N 
ATOM      2  C   LIG    1       -0.028  -0.239   2.589  0.00  0.00    +0.143 A 
ATOM      3  C   LIG    1        1.126   0.461   2.316  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1        1.678  -0.159   1.182  0.00  0.00    +0.246 A 
ATOM      5  N   LIG    1        0.939  -1.171   0.731  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1   6
ATOM      6  S   LIG    1       -1.463  -2.287   1.441  0.00  0.00    +0.101 S 
ATOM      7  O   LIG    1       -0.997  -3.462   0.727  0.00  0.00    -0.146 OA
ATOM      8  O   LIG    1       -2.089  -2.393   2.751  0.00  0.00    -0.146 OA
BRANCH   6  13
ATOM      9  C   LIG    1       -5.056   0.873  -2.284  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.154   0.115  -1.355  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -3.007  -0.524  -1.847  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.184  -1.256  -0.992  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -2.511  -1.353   0.363  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1       -3.663  -0.743   0.865  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -4.482  -0.012   0.002  0.00  0.00    +0.005 A 
ENDBRANCH   6  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  N   LIG    1       -0.936  -0.026   3.574  0.00  0.00    -0.342 N 
ATOM     17  H   LIG    1       -0.694   0.571   4.365  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -1.575  -0.782   3.854  0.00  0.00    +0.144 HD
ENDBRANCH   2  16
BRANCH   4  19
ATOM     19  O   LIG    1        2.781   0.084   0.453  0.00  0.00    -0.400 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.659   1.058   0.820  0.00  0.00    +0.381 C 
ATOM     21  O   LIG    1        3.567   1.789   1.799  0.00  0.00    -0.241 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.737   1.094  -0.147  0.00  0.00    +0.212 A 
ATOM     23  O   LIG    1        5.734   2.020   0.024  0.00  0.00    -0.456 OA
ATOM     24  C   LIG    1        6.618   1.861  -0.993  0.00  0.00    +0.196 A 
ATOM     25  C   LIG    1        6.215   0.847  -1.826  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        5.005   0.351  -1.285  0.00  0.00    +0.056 A 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6