REMARK  Name = BDB029521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.241  -0.922   0.372  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -5.220  -0.329   0.078  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.949  -0.834   0.203  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.795  -1.757   0.589  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.924   0.119  -0.185  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1       -2.038   0.496   1.002  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.665   0.957   0.522  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1       -0.018  -0.123  -0.222  0.00  0.00    -0.309 N 
ATOM      9  C   LIG    1       -0.835  -1.011  -1.040  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.153  -0.346  -1.422  0.00  0.00    +0.054 C 
ATOM     11  C   LIG    1       -3.836   1.305  -0.558  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.466   2.411  -0.921  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -5.134   0.928  -0.410  0.00  0.00    -0.238 N 
ATOM     14  H   LIG    1       -5.927   1.528  -0.561  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        1.343  -0.244  -0.140  0.00  0.00    +0.162 A 
ATOM     16  S   LIG    1        2.232  -1.571  -0.815  0.00  0.00    -0.052 S 
ATOM     17  C   LIG    1        3.709  -0.908  -0.249  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        3.437   0.280   0.425  0.00  0.00    +0.080 A 
ATOM     19  C   LIG    1        4.510   1.005   0.982  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        5.817   0.525   0.850  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        6.065  -0.664   0.172  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.017  -1.401  -0.389  0.00  0.00    +0.017 A 
ATOM     23  N   LIG    1        2.102   0.634   0.480  0.00  0.00    -0.225 NA
ENDBRANCH   8  15
TORSDOF 1