REMARK  Name = BDB050785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.403  -2.006   0.411  0.00  0.00    +0.196 A 
ATOM      2  N   LIG    1       -1.393  -2.447  -0.376  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.406  -1.605  -0.627  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.401  -0.322  -0.104  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.358   0.046   0.717  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -0.349  -0.794   0.977  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.454  -2.010  -1.481  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -4.793  -1.928  -0.852  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -5.874  -2.319  -1.874  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -5.642  -3.627  -2.419  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -4.362  -3.671  -3.070  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -3.223  -3.342  -2.092  0.00  0.00    +0.134 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -1.225   1.304   1.312  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -0.318   1.319   1.777  0.00  0.00    +0.155 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.128   2.287   1.526  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1       -1.706   3.493   2.027  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -0.759   3.768   2.256  0.00  0.00    +0.190 HD
ATOM     18  N   LIG    1       -2.689   4.392   2.202  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -3.790   3.737   1.820  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -5.113   4.402   1.884  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1       -3.492   2.420   1.393  0.00  0.00    +0.068 A 
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   1  22
ATOM     22  S   LIG    1        0.936  -3.135   0.722  0.00  0.00    -0.050 S 
BRANCH  22  26
ATOM     23  C   LIG    1        4.548  -0.423  -0.152  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.202  -0.746   1.160  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        3.103  -1.574   1.424  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        2.332  -2.084   0.377  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        2.682  -1.774  -0.939  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        3.780  -0.948  -1.200  0.00  0.00    +0.024 A 
BRANCH  23  30
ATOM     29  C   LIG    1        6.504   1.065   0.350  0.00  0.00    +0.217 C 
ATOM     30  N   LIG    1        5.634   0.404  -0.504  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1        5.785   0.538  -1.496  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        6.470   1.059   1.575  0.00  0.00    -0.275 OA
BRANCH  29  34
ATOM     33  C   LIG    1        8.537   2.566   0.475  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        7.552   1.847  -0.429  0.00  0.00    +0.093 C 
ENDBRANCH  29  34
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7