REMARK  Name = BDB055513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.479   0.609   0.880  0.00  0.00    +0.041 A 
ATOM      2  N   LIG    1        0.906   1.817   0.327  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -0.215   2.636   0.137  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -1.340   1.942   0.590  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.604   2.574   0.547  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -2.721   3.875   0.056  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.596   4.563  -0.371  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.332   3.966  -0.325  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.902   0.668   1.047  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -1.716  -0.398   1.623  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1       -2.716  -0.947   0.827  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -3.571  -1.978   1.411  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -4.848  -2.213   0.588  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -4.625  -2.535  -0.832  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -4.638  -3.547  -0.963  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.342  -2.012  -1.332  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -2.854  -0.737  -0.620  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1       -1.499  -0.798   2.765  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1        2.257   2.178  -0.022  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        2.594   2.902  -1.149  0.00  0.00    +0.071 A 
ATOM     21  S   LIG    1        4.281   3.148  -1.296  0.00  0.00    -0.103 S 
ATOM     22  C   LIG    1        4.582   2.303   0.156  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.421   1.839   0.735  0.00  0.00    +0.034 A 
ENDBRANCH   2  19
BRANCH   1  24
ATOM     24  C   LIG    1        1.363  -0.586   1.150  0.00  0.00    +0.090 C 
BRANCH  24  27
ATOM     25  C   LIG    1        3.960  -2.052   1.423  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        3.288  -1.889   0.086  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        2.067  -1.188  -0.059  0.00  0.00    -0.039 A 
ATOM     28  C   LIG    1        1.480  -1.128  -1.338  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        2.106  -1.688  -2.452  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.326  -2.336  -2.308  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.911  -2.439  -1.048  0.00  0.00    +0.003 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 4