REMARK  Name = BDB065430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.316   0.464   0.131  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        0.892   0.263  -1.256  0.00  0.00    +0.082 C 
ATOM      3  C   LIG    1       -0.594   0.648  -1.295  0.00  0.00    +0.043 C 
ATOM      4  C   LIG    1       -1.312   0.431   0.058  0.00  0.00    +0.076 C 
ATOM      5  C   LIG    1       -0.667  -0.621   0.993  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.060  -1.254  -1.475  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        1.271  -1.843  -0.082  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        0.866  -0.715   0.869  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   4   9
ATOM      9  N   LIG    1       -2.725   0.146  -0.154  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -3.022  -0.407  -0.953  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -3.691   0.370   0.806  0.00  0.00    +0.266 C 
ATOM     12  O   LIG    1       -3.467   0.912   1.884  0.00  0.00    -0.268 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -5.022  -0.115   0.435  0.00  0.00    +0.168 A 
ATOM     14  N   LIG    1       -5.243  -0.767  -0.723  0.00  0.00    -0.073 NA
ATOM     15  O   LIG    1       -6.594  -1.073  -0.729  0.00  0.00    -0.359 OA
ATOM     16  C   LIG    1       -7.171  -0.607   0.409  0.00  0.00    +0.141 A 
ATOM     17  C   LIG    1       -6.218   0.001   1.185  0.00  0.00    +0.081 A 
BRANCH  16  18
ATOM     18  C   LIG    1       -8.669  -0.764   0.765  0.00  0.00    +0.058 C 
ATOM     19  C   LIG    1       -9.700  -0.446  -0.285  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -9.527   0.468   0.893  0.00  0.00    +0.012 C 
ENDBRANCH  16  18
ENDBRANCH  11  13
ENDBRANCH   4   9
BRANCH   1  21
ATOM     21  S   LIG    1        2.500   1.498   0.641  0.00  0.00    +0.035 S 
ATOM     22  O   LIG    1        2.291   1.686   2.062  0.00  0.00    -0.158 OA
ATOM     23  O   LIG    1        2.514   2.630  -0.261  0.00  0.00    -0.158 OA
BRANCH  21  27
ATOM     24  C   LIG    1        6.890   0.388  -0.409  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        6.509   0.561   1.065  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        5.171   1.284   1.214  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1        4.048   0.577   0.438  0.00  0.00    +0.148 C 
ATOM     28  C   LIG    1        4.441   0.414  -1.032  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        5.773  -0.319  -1.182  0.00  0.00    +0.020 C 
BRANCH  24  30
ATOM     30  N   LIG    1        8.131  -0.372  -0.533  0.00  0.00    -0.327 NA
ATOM     31  H   LIG    1        8.878   0.106  -0.028  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1        8.033  -1.284  -0.090  0.00  0.00    +0.118 HD
ENDBRANCH  24  30
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 6