REMARK  Name = BDB002795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.054  -0.505  -0.583  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -3.482   0.039   0.574  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -2.092   0.145   0.684  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.256  -0.286  -0.357  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1       -1.837  -0.807  -1.522  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -3.225  -0.914  -1.635  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -6.277  -0.760   0.412  0.00  0.00    -0.250 N 
ATOM      8  H   LIG    1       -5.822  -0.962   1.300  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -5.527  -0.639  -0.753  0.00  0.00    +0.257 C 
ATOM     10  O   LIG    1       -6.029  -0.673  -1.874  0.00  0.00    -0.269 OA
BRANCH   7  11
ATOM     11  N   LIG    1       -7.666  -1.000   0.308  0.00  0.00    -0.254 NA
ATOM     12  H   LIG    1       -8.106  -0.108   0.061  0.00  0.00    +0.140 HD
ATOM     13  H   LIG    1       -7.803  -1.562  -0.544  0.00  0.00    +0.140 HD
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  C   LIG    1        0.244  -0.154  -0.241  0.00  0.00    +0.111 C 
BRANCH  14  15
ATOM     15  S   LIG    1        0.811   1.467  -0.830  0.00  0.00    -0.094 S 
BRANCH  15  16
ATOM     16  C   LIG    1        2.536   1.309  -0.574  0.00  0.00    +0.136 A 
ATOM     17  S   LIG    1        3.628   2.559  -0.989  0.00  0.00    -0.061 S 
ATOM     18  C   LIG    1        4.940   1.593  -0.432  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        4.439   0.376   0.034  0.00  0.00    +0.079 A 
ATOM     20  C   LIG    1        5.343  -0.579   0.542  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        6.713  -0.295   0.569  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        7.189   0.925   0.099  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.313   1.889  -0.410  0.00  0.00    +0.017 A 
ATOM     24  N   LIG    1        3.064   0.227  -0.051  0.00  0.00    -0.233 NA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 5