REMARK  Name = BDB037917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.111   1.695  -0.235  0.00  0.00    +0.087 A 
ATOM      2  C   LIG    1       -1.568   0.684   0.540  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -2.226  -0.586   0.337  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -3.263  -0.479  -0.592  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -4.048  -1.590  -0.957  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.784  -2.829  -0.369  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.767  -2.963   0.564  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.991  -1.857   0.922  0.00  0.00    +0.010 A 
ATOM      9  S   LIG    1       -3.421   1.129  -1.174  0.00  0.00    -0.083 S 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -0.472   0.918   1.471  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        0.739   0.388   1.086  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.041   0.805   1.592  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        2.634  -0.004   0.417  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1        3.862   0.598  -0.328  0.00  0.00    +0.229 C 
ATOM     15  O   LIG    1        4.004   1.705  -0.827  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        4.826  -0.361  -0.361  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        5.721  -0.216  -0.803  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        4.470  -1.548   0.207  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        5.172  -2.543   0.258  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.067  -1.436   0.755  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1        1.250   0.136  -0.256  0.00  0.00    +0.126 C 
ATOM     22  O   LIG    1       -0.643   1.498   2.538  0.00  0.00    -0.270 OA
ENDBRANCH   2  10
BRANCH   1  26
ATOM     23  N   LIG    1       -2.529   3.985  -0.834  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -2.245   4.955  -0.833  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.491   3.747  -1.028  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -1.647   3.069  -0.333  0.00  0.00    +0.249 C 
ATOM     27  O   LIG    1       -0.525   3.441  -0.003  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 2