REMARK  Name = BDB015352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.039  -1.637   0.936  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.530  -0.748  -0.040  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.495  -1.208  -1.251  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        0.095  -2.563  -1.183  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        0.204  -2.937   0.290  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -0.999   0.483   0.338  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -1.350   1.428  -0.734  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -2.792   1.183  -1.242  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -3.786   0.835  -0.190  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -3.274   1.258   1.129  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.928   0.579   1.491  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.083   1.484  -0.471  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -6.213   0.767   0.321  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -6.392  -0.192  -0.871  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -5.726   0.880  -1.752  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1        0.574  -0.059   2.901  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1        1.031  -1.226   2.176  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1        1.353  -2.441   2.902  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.495  -0.744   1.279  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        2.576   0.543   0.744  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        3.725   0.932   0.050  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.808   0.050  -0.099  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1        4.712  -1.235   0.461  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        3.566  -1.632   1.156  0.00  0.00    +0.029 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.018   0.438  -0.835  0.00  0.00    +0.019 A 
ATOM     26  S   LIG    1        6.766   1.957  -0.547  0.00  0.00    -0.097 S 
ATOM     27  C   LIG    1        8.007   1.644  -1.679  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        7.869   0.407  -2.266  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.726  -0.289  -1.776  0.00  0.00    +0.016 A 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5