REMARK  Name = BDB061424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.068  -1.520  -0.345  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.871  -0.557   0.268  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.274  -0.666   0.243  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.876  -1.764  -0.412  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        4.278  -1.869  -0.440  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        5.087  -0.899   0.165  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        4.486   0.175   0.824  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        2.060  -2.727  -1.020  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.094   0.294   0.857  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.670  -2.604  -0.984  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        6.543  -1.068   0.141  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        7.437  -0.246  -0.426  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1        7.195   1.021  -1.175  0.00  0.00    +0.258 C 
ATOM     14  O   LIG    1        6.118   1.554  -1.381  0.00  0.00    -0.269 OA
ATOM     15  N   LIG    1        8.382   1.533  -1.613  0.00  0.00    -0.243 N 
ATOM     16  H   LIG    1        8.410   2.390  -2.140  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1        9.523   0.866  -1.315  0.00  0.00    +0.283 C 
ATOM     18  O   LIG    1       10.652   1.204  -1.628  0.00  0.00    -0.262 OA
ATOM     19  S   LIG    1        9.142  -0.572  -0.395  0.00  0.00    -0.026 S 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  O   LIG    1       -1.298  -1.526  -0.388  0.00  0.00    -0.483 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.974  -0.415   0.178  0.00  0.00    +0.324 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -4.031  -1.517  -0.493  0.00  0.00    -0.272 OA
ATOM     23  C   LIG    1       -3.497  -0.540   0.020  0.00  0.00    +0.255 C 
ATOM     24  N   LIG    1       -4.159   0.575   0.528  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1       -3.582   1.308   0.920  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.550   0.807   0.558  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1       -6.505  -0.087   0.064  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -7.871   0.215   0.130  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1       -8.287   1.425   0.696  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1       -7.344   2.330   1.194  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -5.982   2.016   1.123  0.00  0.00    +0.025 A 
BRANCH  29  32
ATOM     32  N   LIG    1       -9.717   1.746   0.767  0.00  0.00    +0.056 N 
ATOM     33  O   LIG    1      -10.037   2.830   1.278  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1      -10.520   0.918   0.314  0.00  0.00    -0.126 OA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6