REMARK  Name = BDB015541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.331   0.767  -0.025  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.421  -0.082   0.451  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.855   0.274   0.251  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.265   1.391  -0.362  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.304   2.192  -0.866  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.039   1.923  -0.706  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.782   3.412  -1.558  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.220   3.792  -2.721  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.630   4.928  -3.403  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        0.038   5.263  -4.652  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.659   5.750  -2.943  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.032   6.773  -3.512  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.323   5.315  -1.672  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.458   6.154  -1.181  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.887   4.208  -1.049  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.668   0.375   0.200  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.371   1.111   0.215  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.210  -0.917  -0.720  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.552  -0.872  -2.010  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.655  -0.846  -0.640  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.671  -2.365   0.191  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.056  -2.329   1.663  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.949  -3.559   3.859  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        2.593  -3.596   2.382  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.855  -0.529   0.773  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.678  -1.867   0.782  0.00  0.00    +0.175 A 
ATOM     27  C   LIG    1       -1.885  -2.655   1.891  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -2.297  -2.316   3.273  0.00  0.00    +0.069 C 
ATOM     29  N   LIG    1       -1.592  -3.929   1.473  0.00  0.00    -0.268 N 
ATOM     30  C   LIG    1       -1.617  -5.137   2.266  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -1.254  -4.009   0.170  0.00  0.00    -0.173 NA
ATOM     32  C   LIG    1       -1.332  -2.746  -0.271  0.00  0.00    +0.102 A 
ATOM     33  C   LIG    1       -1.075  -2.441  -1.699  0.00  0.00    +0.071 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8