REMARK  Name = BDB008988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.261   0.472   0.707  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1        0.764   0.889  -0.534  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.820   0.201  -1.135  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        2.399  -0.893  -0.496  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        1.915  -1.309   0.743  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.856  -0.628   1.344  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.366   0.648  -2.377  0.00  0.00    -0.216 N 
ATOM      8  H   LIG    1        1.658   0.929  -3.055  0.00  0.00    +0.174 HD
BRANCH   7   9
ATOM      9  S   LIG    1        3.498   1.915  -2.272  0.00  0.00    +0.079 S 
ATOM     10  O   LIG    1        2.936   2.961  -1.442  0.00  0.00    -0.149 OA
ATOM     11  O   LIG    1        3.928   2.203  -3.624  0.00  0.00    -0.149 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.933   1.339  -1.399  0.00  0.00    +0.146 A 
ATOM     13  S   LIG    1        5.851   0.115  -2.165  0.00  0.00    -0.077 S 
ATOM     14  C   LIG    1        6.963   0.047  -0.865  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        6.642   0.935   0.137  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.468   1.682  -0.171  0.00  0.00    +0.036 A 
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.864   1.234   1.371  0.00  0.00    +0.092 C 
BRANCH  17  26
ATOM     18  O   LIG    1       -4.913  -2.024   3.208  0.00  0.00    -0.266 OA
ATOM     19  C   LIG    1       -4.036  -1.302   2.745  0.00  0.00    +0.268 A 
ATOM     20  C   LIG    1       -3.929  -1.035   1.289  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -4.940  -1.716   0.408  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -4.576  -1.659  -1.076  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.069  -0.274  -1.460  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -2.833   0.108  -0.639  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -2.963  -0.224   0.821  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -2.015   0.344   1.830  0.00  0.00    +0.069 A 
ATOM     27  N   LIG    1       -2.096   0.116   3.108  0.00  0.00    -0.175 NA
ATOM     28  N   LIG    1       -3.103  -0.690   3.537  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -3.159  -0.858   4.535  0.00  0.00    +0.192 HD
ENDBRANCH  17  26
ENDBRANCH   1  17
TORSDOF 5