REMARK  Name = BDB037908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.959   0.468  -1.527  0.00  0.00    +0.087 A 
ATOM      2  C   LIG    1       -1.383  -0.289  -0.525  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.433  -1.705  -0.829  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -2.008  -1.939  -2.082  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.156  -3.241  -2.599  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.725  -4.328  -1.836  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.162  -4.129  -0.585  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.016  -2.835  -0.076  0.00  0.00    +0.010 A 
ATOM      9  S   LIG    1       -2.478  -0.471  -2.846  0.00  0.00    -0.083 S 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -0.847   0.328   0.682  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        0.437  -0.043   1.016  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1        1.287   0.660   1.982  0.00  0.00    +0.141 C 
ATOM     13  C   LIG    1        2.469  -0.066   1.328  0.00  0.00    +0.131 C 
ATOM     14  N   LIG    1        3.616   0.809   0.912  0.00  0.00    -0.274 NA
ATOM     15  C   LIG    1        3.978   1.749   1.982  0.00  0.00    +0.107 C 
ATOM     16  C   LIG    1        4.711  -0.170   0.755  0.00  0.00    +0.192 C 
ATOM     17  N   LIG    1        4.454  -1.215   1.697  0.00  0.00    -0.301 N 
ATOM     18  H   LIG    1        5.047  -2.024   1.821  0.00  0.00    +0.150 HD
ATOM     19  C   LIG    1        3.113  -1.332   1.971  0.00  0.00    +0.237 C 
ATOM     20  O   LIG    1        2.631  -2.279   2.571  0.00  0.00    -0.274 OA
ATOM     21  C   LIG    1        1.555  -0.293   0.103  0.00  0.00    +0.141 C 
ATOM     22  O   LIG    1       -1.509   1.115   1.352  0.00  0.00    -0.270 OA
ENDBRANCH   2  10
BRANCH   1  25
ATOM     23  C   LIG    1       -3.332   3.954  -1.242  0.00  0.00    +0.132 C 
ATOM     24  N   LIG    1       -3.279   2.504  -1.276  0.00  0.00    -0.303 N 
ATOM     25  C   LIG    1       -2.051   1.912  -1.604  0.00  0.00    +0.254 C 
ATOM     26  O   LIG    1       -1.076   2.583  -1.942  0.00  0.00    -0.269 OA
ATOM     27  C   LIG    1       -4.320   1.814  -0.527  0.00  0.00    +0.132 C 
ENDBRANCH   1  25
TORSDOF 2