REMARK  Name = BDB057335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.582   1.202   0.041  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.636   1.585  -0.894  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1        0.703   0.502  -1.174  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.914  -0.604  -0.336  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.073  -1.755  -0.356  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.000  -1.742  -1.271  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -1.202  -0.684  -2.140  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -0.349   0.415  -2.122  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        2.300  -0.341   0.655  0.00  0.00    -0.072 S 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.611   2.508   2.490  0.00  0.00    +0.129 C 
ATOM     11  N   LIG    1        5.551   2.635   1.520  0.00  0.00    -0.302 N 
ATOM     12  H   LIG    1        5.808   3.006   0.617  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1        4.530   1.698   1.499  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1        3.668   1.958   0.456  0.00  0.00    -0.263 N 
ATOM     15  H   LIG    1        3.765   2.862   0.002  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        4.451   0.804   2.330  0.00  0.00    -0.253 OA
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1        1.655   2.925  -1.480  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        2.674   3.610  -1.547  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        0.455   3.438  -1.877  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        0.447   4.419  -2.125  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -0.420   3.049  -1.543  0.00  0.00    +0.145 HD
ENDBRANCH   2  17
BRANCH   5  22
ATOM     22  C   LIG    1        0.261  -2.955   0.566  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        0.462  -4.254  -0.219  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -0.902  -3.082   1.554  0.00  0.00    +0.012 C 
ENDBRANCH   5  22
BRANCH   7  25
ATOM     25  N   LIG    1       -2.349  -0.712  -2.994  0.00  0.00    -0.215 N 
ATOM     26  H   LIG    1       -2.125  -0.473  -3.961  0.00  0.00    +0.174 HD
BRANCH  25  27
ATOM     27  S   LIG    1       -3.623   0.328  -2.513  0.00  0.00    +0.091 S 
ATOM     28  O   LIG    1       -4.794  -0.076  -3.266  0.00  0.00    -0.148 OA
ATOM     29  O   LIG    1       -3.135   1.692  -2.576  0.00  0.00    -0.148 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -4.025   0.034  -0.831  0.00  0.00    +0.218 A 
ATOM     31  N   LIG    1       -3.297   0.492   0.208  0.00  0.00    -0.151 NA
ATOM     32  N   LIG    1       -3.931  -0.004   1.285  0.00  0.00    -0.273 N 
ATOM     33  C   LIG    1       -3.422   0.290   2.604  0.00  0.00    +0.172 C 
ATOM     34  C   LIG    1       -5.024  -0.759   0.976  0.00  0.00    +0.110 A 
ATOM     35  C   LIG    1       -5.114  -0.758  -0.396  0.00  0.00    +0.070 A 
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 6