REMARK  Name = BDB014759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.291  -3.050   0.163  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.815  -2.748   0.173  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.428  -1.435  -0.065  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.972  -1.203  -0.141  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.661   0.247  -0.038  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.419   0.932   0.065  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.622   2.254   0.113  0.00  0.00    -0.156 NA
ATOM      8  N   LIG    1       -1.955   2.414   0.065  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1       -2.502   3.747   0.126  0.00  0.00    +0.172 C 
ATOM     10  C   LIG    1       -2.620   1.236  -0.051  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.078   1.002  -0.144  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.313  -0.425  -0.687  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -3.002  -3.646   0.396  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  14
ATOM     14  N   LIG    1        0.764   0.269   0.105  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.727  -0.742   0.102  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.099   0.732   0.161  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        3.136  -0.215   0.275  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        4.489   0.163   0.337  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1        4.806   1.525   0.292  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        3.795   2.478   0.183  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.457   2.082   0.120  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1        5.529  -0.862   0.466  0.00  0.00    +0.039 A 
ATOM     23  S   LIG    1        6.973  -0.806  -0.469  0.00  0.00    -0.075 S 
ATOM     24  C   LIG    1        7.494  -2.265   0.262  0.00  0.00    +0.156 A 
ATOM     25  N   LIG    1        6.680  -2.796   1.145  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        5.558  -1.996   1.260  0.00  0.00    +0.127 A 
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3