REMARK  Name = BDB057340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.837   0.172   1.969  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        0.011   1.239   1.628  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -1.023   1.086   0.668  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.234  -0.199   0.145  0.00  0.00    +0.025 A 
ATOM      5  S   LIG    1       -2.590  -0.190  -0.918  0.00  0.00    -0.072 S 
ATOM      6  C   LIG    1       -2.891   1.453  -0.699  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1       -0.414  -1.313   0.490  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1       -1.938   2.066   0.097  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        0.630  -1.076   1.409  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -3.962   2.084  -1.317  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1       -4.089   3.059  -1.062  0.00  0.00    +0.157 HD
ATOM     12  C   LIG    1       -4.991   1.500  -2.025  0.00  0.00    +0.304 C 
ATOM     13  N   LIG    1       -5.850   2.474  -2.508  0.00  0.00    -0.302 N 
ATOM     14  H   LIG    1       -5.427   3.370  -2.698  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1       -6.960   2.092  -3.345  0.00  0.00    +0.129 C 
ATOM     16  O   LIG    1       -5.182   0.309  -2.226  0.00  0.00    -0.253 OA
ENDBRANCH   6  10
BRANCH   8  17
ATOM     17  C   LIG    1       -1.945   3.514   0.301  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -2.948   4.207   0.144  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -0.747   4.103   0.588  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        0.130   3.634   0.394  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -0.732   5.114   0.565  0.00  0.00    +0.145 HD
ENDBRANCH   8  17
BRANCH   7  22
ATOM     22  C   LIG    1       -0.613  -2.715  -0.077  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -0.997  -3.713   1.019  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        0.620  -3.194  -0.850  0.00  0.00    +0.012 C 
ENDBRANCH   7  22
BRANCH   1  25
ATOM     25  N   LIG    1        1.947   0.363   2.853  0.00  0.00    -0.207 N 
ATOM     26  H   LIG    1        1.685   0.873   3.699  0.00  0.00    +0.175 HD
BRANCH  25  27
ATOM     27  S   LIG    1        3.292   1.162   2.207  0.00  0.00    +0.109 S 
ATOM     28  O   LIG    1        2.825   2.293   1.439  0.00  0.00    -0.138 OA
ATOM     29  O   LIG    1        4.240   1.314   3.281  0.00  0.00    -0.138 OA
BRANCH  27  30
ATOM     30  N   LIG    1        3.852   0.017   1.132  0.00  0.00    -0.177 NA
ATOM     31  H   LIG    1        3.215  -0.100   0.347  0.00  0.00    +0.149 HD
BRANCH  30  32
ATOM     32  C   LIG    1        4.433  -1.213   1.686  0.00  0.00    +0.107 C 
BRANCH  32  34
ATOM     33  C   LIG    1        6.179  -1.454  -0.143  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1        4.980  -2.081   0.554  0.00  0.00    +0.013 C 
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 8