REMARK  Name = BDB055384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.555  -0.657  -0.955  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        2.764  -1.340  -1.025  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        3.822  -0.611  -0.425  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.389   0.597   0.039  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        4.171   1.533   0.653  0.00  0.00    -0.316 N 
ATOM      6  H   LIG    1        3.797   2.426   0.942  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        5.520   1.284   0.820  0.00  0.00    +0.264 A 
ATOM      8  C   LIG    1        6.035  -0.057   0.367  0.00  0.00    +0.124 A 
ATOM      9  O   LIG    1        6.248   2.151   1.294  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        5.199  -0.929  -0.238  0.00  0.00    +0.032 A 
ATOM     11  S   LIG    1        1.759   0.894  -0.214  0.00  0.00    -0.065 S 
ENDROOT
BRANCH   2  12
ATOM     12  N   LIG    1        2.901  -2.562  -1.591  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1        3.807  -2.890  -1.911  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        2.147  -2.897  -2.199  0.00  0.00    +0.142 HD
ENDBRANCH   2  12
BRANCH   1  15
ATOM     15  C   LIG    1        0.269  -1.081  -1.492  0.00  0.00    +0.202 C 
ATOM     16  O   LIG    1        0.170  -1.854  -2.448  0.00  0.00    -0.286 OA
BRANCH  15  20
ATOM     17  C   LIG    1       -3.473   0.261   0.195  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -2.419  -0.174   1.025  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -1.200  -0.610   0.494  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -1.004  -0.607  -0.888  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.041  -0.206  -1.731  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.258   0.229  -1.193  0.00  0.00    +0.005 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -4.534   1.932   1.758  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -4.799   0.734   0.819  0.00  0.00    -0.013 C 
ATOM     25  C   LIG    1       -5.849   1.193  -0.218  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -5.430  -0.417   1.631  0.00  0.00    +0.015 C 
ENDBRANCH  17  24
ENDBRANCH  15  20
ENDBRANCH   1  15
BRANCH   8  27
ATOM     27  C   LIG    1        7.427  -0.492   0.543  0.00  0.00    +0.342 C 
ATOM     28  O   LIG    1        8.021  -1.277  -0.179  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        8.005  -0.001   1.648  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.917  -0.355   1.638  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH   8  27
TORSDOF 6