REMARK  Name = BDB015387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.786  -1.502   2.740  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        1.016  -0.543   1.970  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1        0.191   0.430   2.654  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        2.166   0.367   0.956  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        3.461  -0.124   0.756  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        4.378   0.587  -0.034  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        3.959   1.806  -0.597  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        2.672   2.307  -0.375  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.773   1.590   0.408  0.00  0.00    +0.029 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.737   0.071  -0.266  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        6.560  -0.310   0.807  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        7.850  -0.803   0.588  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        8.338  -0.925  -0.711  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.539  -0.553  -1.789  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.250  -0.059  -1.567  0.00  0.00    +0.008 A 
ENDBRANCH   6  10
ENDBRANCH   2   4
BRANCH   2  16
ATOM     16  N   LIG    1        0.122  -1.405   0.822  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.692  -0.812  -0.160  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1       -0.565  -1.311  -1.347  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        0.490  -2.349  -1.262  0.00  0.00    +0.166 C 
ATOM     20  C   LIG    1        0.798  -2.564   0.217  0.00  0.00    +0.158 C 
BRANCH  17  21
ATOM     21  N   LIG    1       -1.550   0.183   0.215  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1       -2.068   1.085  -0.834  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -3.550   0.797  -1.131  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -4.440   1.064   0.029  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1       -3.705   0.871   1.304  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -2.562  -0.162   1.244  0.00  0.00    +0.123 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -5.605   0.168  -0.032  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1       -6.519   0.562  -1.225  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -7.712   0.371  -0.265  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -6.737   0.712   0.882  0.00  0.00    +0.019 C 
ENDBRANCH  24  27
ENDBRANCH  17  21
ENDBRANCH   2  16
TORSDOF 5