REMARK  Name = BDB036476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.242  -1.624  -0.428  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        2.850  -0.358  -0.206  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        2.110   0.816  -0.415  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.792   0.666  -0.836  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.172  -0.548  -1.057  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -1.142  -0.191  -1.458  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.300   1.135  -1.481  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.086   1.671  -1.090  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        0.906  -1.731  -0.851  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        2.542  -3.999  -0.450  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        3.067  -2.703  -0.190  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        4.198  -0.338   0.224  0.00  0.00    -0.279 N 
ATOM     13  H   LIG    1        4.572  -1.278   0.317  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.055   0.651   0.514  0.00  0.00    +0.239 A 
ATOM     15  N   LIG    1        6.316   0.274   0.899  0.00  0.00    -0.199 NA
ATOM     16  C   LIG    1        6.938   1.411   1.115  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        8.332   1.622   1.552  0.00  0.00    +0.087 C 
ATOM     18  N   LIG    1        6.072   2.433   0.867  0.00  0.00    -0.261 N 
ATOM     19  H   LIG    1        6.223   3.433   0.933  0.00  0.00    +0.190 HD
ATOM     20  N   LIG    1        4.873   1.975   0.487  0.00  0.00    -0.136 NA
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.138  -1.107  -1.770  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -2.007  -2.085  -1.537  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.753  -0.703  -1.966  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -4.471  -1.965  -1.963  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -3.835   0.177  -3.112  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.190   0.136  -0.470  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -3.866  -0.452   0.762  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -4.144   0.216   1.960  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -4.802   1.443   1.936  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -5.175   2.005   0.717  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -4.857   1.364  -0.487  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -3.221  -1.663   0.817  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.085  -2.676   1.341  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -5.325   1.915  -1.647  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.566   3.068  -2.017  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8