REMARK  Name = BDB016307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.263   0.529   3.200  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.034   0.265   1.903  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.066   0.052   0.838  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.242   0.646   0.951  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.493   0.095  -0.507  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -3.804  -0.191  -0.957  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.101  -0.093  -2.333  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.128   0.223  -3.276  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.824   0.434  -2.861  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -4.912  -0.577  -0.173  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.799  -0.666  -0.655  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.049  -0.924   1.130  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.173  -1.241   1.532  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.494   0.355  -1.500  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -3.873  -0.986   2.047  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.082   0.572  -1.145  0.00  0.00    +0.052 A 
ATOM     17  N   LIG    1        0.762  -0.403  -0.646  0.00  0.00    -0.343 N 
ATOM     18  C   LIG    1        0.412  -1.793  -0.428  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1        2.007   0.135  -0.369  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        1.962   1.482  -0.735  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.107   2.285  -0.555  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.268   1.723  -0.016  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.290   0.372   0.330  0.00  0.00    +0.090 A 
ATOM     24  C   LIG    1        3.163  -0.448   0.177  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        0.658   1.738  -1.230  0.00  0.00    +0.036 A 
BRANCH  23  26
ATOM     26  S   LIG    1        5.776  -0.322   1.019  0.00  0.00    -0.006 S 
ATOM     27  O   LIG    1        6.506   0.754   1.661  0.00  0.00    -0.170 OA
ATOM     28  O   LIG    1        5.404  -1.514   1.759  0.00  0.00    -0.170 OA
ATOM     29  C   LIG    1        6.686  -0.829  -0.416  0.00  0.00    +0.200 C 
ENDBRANCH  23  26
ENDBRANCH  14  16
TORSDOF 2