REMARK  Name = BDB016352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.079   2.301  -0.897  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.934   0.955  -1.602  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.835   0.170  -1.072  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.931   0.554  -1.343  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.802  -0.378   0.217  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.932  -0.620   1.034  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.758  -1.159   2.327  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.507  -1.517   2.811  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.397  -1.350   2.002  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.284  -0.365   0.724  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.953  -0.496   1.472  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.919  -0.003  -0.415  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.142   0.164  -0.372  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.520  -0.800   0.711  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.187   0.123  -1.708  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.719  -0.677  -0.086  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        1.716   0.244   0.277  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        2.892   0.342  -0.468  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        3.101  -0.484  -1.570  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.118  -1.398  -1.945  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.937  -1.494  -1.207  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  N   LIG    1        3.921   1.241  -0.060  0.00  0.00    -0.221 N 
ATOM     23  H   LIG    1        3.591   2.153   0.262  0.00  0.00    +0.173 HD
BRANCH  22  24
ATOM     24  S   LIG    1        5.045   0.655   1.066  0.00  0.00    +0.040 S 
ATOM     25  O   LIG    1        4.523  -0.513   1.738  0.00  0.00    -0.155 OA
ATOM     26  O   LIG    1        5.478   1.819   1.811  0.00  0.00    -0.155 OA
ATOM     27  C   LIG    1        6.386   0.170   0.002  0.00  0.00    +0.218 C 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 3