REMARK  Name = BDB057646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.451   0.249   0.229  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.852  -0.273   0.301  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.906   0.301  -0.427  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -1.619   1.430  -1.208  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -2.640   2.048  -1.928  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.451   2.862  -2.497  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -3.937   1.630  -1.916  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -4.270   0.438  -1.074  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.739   0.109  -1.098  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -6.272  -0.993   0.240  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -4.907  -2.168   0.131  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.574  -1.476   0.406  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -4.788   2.211  -2.584  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.330   1.968  -1.276  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.300  -0.218  -0.396  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        0.707   1.378  -0.554  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  19
ATOM     17  N   LIG    1        2.810  -0.289   0.547  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.922  -0.036  -0.425  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        1.520  -0.413   1.028  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        1.230  -1.052   2.032  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     21  C   LIG    1        3.896  -1.012   1.179  0.00  0.00    +0.106 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.264  -0.446   0.805  0.00  0.00    +0.033 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.483   0.952   1.382  0.00  0.00    +0.079 C 
BRANCH  23  24
ATOM     24  N   LIG    1        6.810   1.458   1.046  0.00  0.00    -0.330 NA
ATOM     25  H   LIG    1        7.523   0.844   1.439  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1        6.947   1.440   0.036  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 5