REMARK  Name = BDB016306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.932  -1.538  -0.438  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.941  -1.319   0.702  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.881  -0.398   0.342  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.211  -0.819  -0.301  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.063   0.966   0.085  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.158   1.742   0.532  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.232   3.111   0.191  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.229   3.746  -0.533  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.119   3.020  -0.927  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.257   1.308   1.300  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.008   1.974   1.436  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.533   0.155   1.954  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.617   0.066   2.541  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.021   1.653  -0.620  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.538  -0.953   2.038  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.194   0.970  -1.062  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        1.231   0.359  -0.291  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        2.170  -0.156  -1.192  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        3.327  -0.828  -0.763  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        3.518  -0.964   0.618  0.00  0.00    +0.090 A 
ATOM     21  C   LIG    1        2.592  -0.480   1.541  0.00  0.00    +0.027 A 
ATOM     22  N   LIG    1        1.708   0.130  -2.460  0.00  0.00    -0.349 N 
ATOM     23  C   LIG    1        2.375  -0.241  -3.689  0.00  0.00    +0.149 C 
ATOM     24  C   LIG    1        1.450   0.190   1.094  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        0.522   0.812  -2.393  0.00  0.00    +0.095 A 
BRANCH  20  26
ATOM     26  S   LIG    1        4.966  -1.810   1.212  0.00  0.00    -0.006 S 
ATOM     27  O   LIG    1        4.601  -2.494   2.438  0.00  0.00    -0.170 OA
ATOM     28  O   LIG    1        5.541  -2.539   0.097  0.00  0.00    -0.170 OA
ATOM     29  C   LIG    1        6.070  -0.483   1.622  0.00  0.00    +0.200 C 
ENDBRANCH  20  26
ENDBRANCH  14  16
TORSDOF 2