REMARK  Name = BDB000186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.410   2.596  -0.389  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -0.826   1.255  -0.120  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -1.513   0.078   0.147  0.00  0.00    +0.044 A 
ATOM      4  S   LIG    1       -0.385  -1.201   0.373  0.00  0.00    -0.052 S 
ATOM      5  C   LIG    1        0.892  -0.103   0.112  0.00  0.00    +0.165 A 
ATOM      6  N   LIG    1        0.555   1.133  -0.135  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.948  -0.175   0.269  0.00  0.00    -0.009 A 
ATOM      8  C   LIG    1       -3.594  -1.087  -0.577  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -4.968  -1.313  -0.459  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.707  -0.630   0.505  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.076   0.280   1.351  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.703   0.508   1.233  0.00  0.00    +0.009 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1        2.132  -0.668   0.193  0.00  0.00    -0.263 N 
ATOM     14  H   LIG    1        2.169  -1.653   0.407  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        3.297   0.060   0.038  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1        3.391   1.259  -0.195  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1        4.539  -0.854   0.149  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1        5.819  -0.049   0.336  0.00  0.00    +0.033 C 
BRANCH  17  19
ATOM     19  N   LIG    1        4.652  -1.685  -1.067  0.00  0.00    -0.320 NA
ATOM     20  H   LIG    1        3.743  -2.068  -1.322  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        4.912  -1.075  -1.847  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   5  13
TORSDOF 4