REMARK  Name = BDB016296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.330  -1.085  -0.388  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.653  -0.551  -0.213  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.802   0.834  -0.368  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.928   1.331  -0.204  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.943   1.591   0.112  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.202   1.183  -0.612  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.815  -0.064  -0.070  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.080  -1.181   0.139  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.682  -1.948   0.413  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.031  -0.120   0.141  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.024   1.619   1.636  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.706  -1.468   0.016  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.415  -2.841   0.167  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.124  -3.338   0.042  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.090  -2.465  -0.247  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        2.865   0.912  -0.040  0.00  0.00    +0.106 A 
ATOM     17  C   LIG    1        1.771   0.099   0.278  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        0.830  -0.229  -0.708  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        1.010   0.278  -2.006  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.097   1.100  -2.315  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.028   1.423  -1.330  0.00  0.00    +0.028 A 
BRANCH  16  22
ATOM     22  S   LIG    1        4.029   1.331   1.234  0.00  0.00    +0.058 S 
ATOM     23  O   LIG    1        4.874   2.397   0.744  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1        3.298   1.444   2.476  0.00  0.00    -0.153 OA
BRANCH  22  26
ATOM     25  C   LIG    1        5.708  -0.539   0.203  0.00  0.00    +0.127 C 
ATOM     26  N   LIG    1        4.953  -0.059   1.348  0.00  0.00    -0.193 NA
ATOM     27  H   LIG    1        4.677  -0.705   2.083  0.00  0.00    +0.148 HD
ENDBRANCH  22  26
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 3