REMARK  Name = BDB003869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.207   1.234  -1.486  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.501   0.774  -0.590  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.497   1.535  -0.059  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.581   2.397  -0.594  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.220   1.108  -0.292  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.576   1.620  -1.205  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.610   0.131   0.720  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.418  -0.623   0.071  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.784  -0.013   0.635  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1        0.463   1.212   1.348  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -0.950   0.945   1.854  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.640  -0.844   1.317  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.567  -1.459   0.273  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.783  -0.581   0.019  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        2.015  -0.134   0.065  0.00  0.00    +0.164 A 
ATOM     16  S   LIG    1        2.434  -1.431  -1.006  0.00  0.00    -0.051 S 
ATOM     17  C   LIG    1        4.020  -0.808  -1.164  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1        4.133   0.338  -0.379  0.00  0.00    +0.169 A 
ATOM     19  N   LIG    1        5.279   1.060  -0.290  0.00  0.00    -0.235 NA
ATOM     20  C   LIG    1        6.312   0.596  -1.020  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        6.284  -0.531  -1.825  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        5.109  -1.271  -1.912  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        3.001   0.699   0.313  0.00  0.00    -0.205 NA
ENDBRANCH   9  15
TORSDOF 1