REMARK  Name = BDB052537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.435  -1.583   0.176  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1        1.608  -0.518   0.140  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        0.292  -0.758   0.053  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -0.225  -1.994  -0.001  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.632  -3.030   0.039  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        1.990  -2.883   0.126  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        6.047  -0.425   0.928  0.00  0.00    +0.159 A 
ATOM      8  S   LIG    1        4.437  -0.240   1.507  0.00  0.00    -0.051 S 
ATOM      9  C   LIG    1        3.856  -1.264   0.259  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        4.920  -1.672  -0.530  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.871  -2.540  -1.736  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1        6.159  -1.199  -0.126  0.00  0.00    -0.230 NA
BRANCH   7  14
ATOM     13  C   LIG    1        7.056   1.411   2.175  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        7.141   0.140   1.493  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1        7.968   0.037   0.911  0.00  0.00    +0.148 HD
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  N   LIG    1       -0.506   0.382   0.020  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1        0.095   1.192   0.073  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.886   0.614  -0.061  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -2.841  -0.409  -0.129  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1       -4.210  -0.126  -0.208  0.00  0.00    +0.167 A 
ATOM     21  C   LIG    1       -4.627   1.214  -0.201  0.00  0.00    +0.204 A 
ATOM     22  C   LIG    1       -3.696   2.261  -0.158  0.00  0.00    +0.167 A 
ATOM     23  C   LIG    1       -2.336   1.948  -0.080  0.00  0.00    +0.073 A 
BRANCH  20  24
ATOM     24  O   LIG    1       -5.203  -1.070  -0.278  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.804  -2.424  -0.445  0.00  0.00    +0.277 C 
ENDBRANCH  20  24
BRANCH  21  26
ATOM     26  O   LIG    1       -5.968   1.507  -0.316  0.00  0.00    -0.488 OA
ATOM     27  C   LIG    1       -6.557   1.587   0.981  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
BRANCH  22  28
ATOM     28  O   LIG    1       -4.209   3.532  -0.177  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -3.292   4.605  -0.345  0.00  0.00    +0.277 C 
ENDBRANCH  22  28
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 7