REMARK  Name = BDB023356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.737  -1.745  -1.084  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.044  -1.010  -0.397  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -0.561   0.013   0.403  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        0.070   0.598   0.945  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.400  -1.059  -0.352  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.083  -0.143   0.410  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.410  -0.413   0.270  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.597  -1.495  -0.578  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        4.909  -1.919  -0.838  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.969  -1.226  -0.230  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        5.766  -0.122   0.622  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        4.446   0.288   0.884  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        2.299  -1.905  -0.976  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  C   LIG    1        6.936   0.583   1.268  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1        7.101   2.077   1.111  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        8.046   1.149   0.411  0.00  0.00    +0.009 C 
ENDBRANCH  11  14
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  S   LIG    1       -2.160   0.166   0.808  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -2.211   1.296   1.713  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.615  -1.146   1.207  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.978   0.682  -0.688  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -4.356   0.457  -0.866  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.933   0.853  -2.090  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.175   1.465  -3.090  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.821   1.705  -2.886  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.222   1.320  -1.687  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -5.239  -0.120   0.157  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -5.735  -1.426   0.024  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -6.590  -1.967   0.988  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.963  -1.208   2.094  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.483   0.092   2.240  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.628   0.633   1.276  0.00  0.00    +0.008 A 
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   3  17
TORSDOF 5