REMARK  Name = BDB015353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.356  -0.467   2.404  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.351   0.226   1.406  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.440   1.504   1.595  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        0.189   1.783   2.908  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        0.923   0.517   3.338  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -0.851  -0.470   0.344  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -1.093   0.270  -0.912  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -2.470   0.967  -0.914  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -3.578   0.005  -0.686  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -3.325  -0.704   0.593  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.956  -1.421   0.610  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.849   0.740  -0.594  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -5.287   1.224  -2.003  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -6.712   0.765  -1.626  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -6.042  -0.250  -0.676  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1        1.867  -2.183   3.497  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1        1.233  -1.894   2.223  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1        0.439  -2.914   1.571  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.531  -1.429   1.091  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        2.312  -1.530  -0.285  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        3.334  -1.192  -1.175  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        4.584  -0.773  -0.697  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        4.798  -0.699   0.687  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        3.779  -1.035   1.582  0.00  0.00    +0.029 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.656  -0.412  -1.619  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        5.969  -1.188  -2.720  0.00  0.00    +0.053 A 
ATOM     27  S   LIG    1        7.270  -0.549  -3.630  0.00  0.00    -0.104 S 
ATOM     28  C   LIG    1        7.442   0.770  -2.558  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        6.527   0.723  -1.530  0.00  0.00    +0.016 A 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5