REMARK  Name = BDB030313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.157   0.743   0.883  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.692  -0.391   1.508  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.023  -0.744   1.281  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        2.543  -1.893   1.913  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.957  -2.445   2.525  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.841  -2.350   1.773  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        4.702  -1.562   0.899  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.218  -0.431   0.267  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        5.399   0.323  -0.700  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.575  -0.851  -0.286  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.073  -1.802   0.575  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        4.224  -3.360   2.355  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.840   0.034   0.434  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.303   1.174  -0.173  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.968   1.530   0.053  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -1.796   0.710   2.193  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -1.266   1.087   1.154  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -1.925   1.795   0.173  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -1.508   1.866  -0.744  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.341   2.078   0.271  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.147   1.086  -0.516  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1       -4.660   1.403  -1.769  0.00  0.00    +0.115 A 
ATOM     23  N   LIG    1       -5.376   0.550  -2.536  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1       -5.594  -0.682  -2.030  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -5.127  -1.102  -0.796  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -4.391  -0.202  -0.031  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3