REMARK  Name = BDB015411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.032  -2.309  -1.468  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.720  -1.148  -1.715  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.654  -0.707  -2.931  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.166  -1.683  -3.689  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -0.819  -2.614  -2.672  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.420  -0.579  -0.691  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.698   0.868  -0.804  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        2.228   1.431   0.533  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.399   0.727   1.108  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        3.118  -0.732   1.116  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        2.619  -1.310  -0.224  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.615   1.021   0.333  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.871   0.564   1.125  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        6.519   1.900   0.706  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        5.088   2.471   0.624  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -0.702  -2.800  -0.004  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -1.464  -4.010  -0.254  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        0.291  -2.784   1.050  0.00  0.00    -0.150 OA
BRANCH  16  25
ATOM     19  C   LIG    1       -7.003   2.453   1.200  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.006   1.390   0.845  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -4.675   1.495   1.272  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.735   0.494   0.977  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.144  -0.644   0.243  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.208  -1.647  -0.056  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -1.878  -1.510   0.354  0.00  0.00    +0.109 A 
ATOM     26  C   LIG    1       -1.477  -0.404   1.103  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1       -5.481  -0.751  -0.166  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -2.401   0.597   1.405  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -6.403   0.254   0.136  0.00  0.00    +0.004 A 
ENDBRANCH  16  25
ENDBRANCH   1  16
TORSDOF 4