REMARK  Name = BDB034848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.880  -2.622  -0.645  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        0.464  -2.869  -0.893  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1        1.451  -2.165  -1.320  0.00  0.00    -0.155 NA
ATOM      4  S   LIG    1        0.843  -4.576  -0.558  0.00  0.00    -0.091 S 
ATOM      5  C   LIG    1       -0.912  -5.025  -0.584  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -1.610  -3.769  -0.084  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.105   0.402   1.547  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -0.680  -0.822   1.026  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1       -1.333  -1.409  -0.067  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -2.462  -0.771  -0.595  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.907   0.438  -0.061  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.228   1.027   1.008  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -0.393   2.289   2.778  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -0.358   0.878   2.590  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.163  -0.897  -1.743  0.00  0.00    +0.271 C 
ATOM     16  O   LIG    1        0.432  -0.632  -2.691  0.00  0.00    -0.268 OA
BRANCH  15  17
ATOM     17  C   LIG    1        1.854   0.130  -0.962  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        1.633   1.546  -1.016  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        2.472   2.131  -0.074  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        2.586   3.438   0.228  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        1.768   4.221  -0.513  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        0.879   3.776  -1.482  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        3.190   1.138   0.528  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        3.873   1.302   1.252  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        0.797   2.409  -1.747  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        2.832  -0.076   0.005  0.00  0.00    +0.098 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4