REMARK  Name = BDB015582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.492   1.197  -0.114  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -1.397   0.217  -0.154  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -0.904  -1.014   0.024  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1        0.379  -1.311   0.256  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        1.251  -0.283   0.291  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.845   1.023   0.136  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.666  -0.646   0.555  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        3.661  -0.003  -0.084  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        4.997  -0.311   0.127  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        6.002   0.443  -0.607  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        5.407  -1.314   1.005  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        6.582  -1.600   1.226  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.310  -2.065   1.695  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.721  -3.171   2.612  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        3.033  -1.727   1.458  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.097   2.472  -0.270  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1       -2.103   2.298  -0.335  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -0.616   3.333  -1.643  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1       -1.508   2.949  -2.714  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        0.821   3.243  -1.790  0.00  0.00    -0.155 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -2.465   5.232  -0.861  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1       -0.995   5.009  -1.152  0.00  0.00    +0.185 C 
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  23
ATOM     23  O   LIG    1       -1.748  -2.102   0.014  0.00  0.00    -0.459 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.062  -1.829  -0.451  0.00  0.00    +0.177 C 
ATOM     25  C   LIG    1       -3.728  -3.142  -0.855  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.215  -2.820  -0.848  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.391  -1.702   0.180  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -3.989  -1.345   0.662  0.00  0.00    +0.044 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6