REMARK  Name = BDB028874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.124  -0.807  -1.698  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        1.777  -0.833  -1.998  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1        0.973   0.207  -2.663  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.197  -0.567  -3.273  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.400  -1.729  -2.306  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        1.029  -2.080  -1.894  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        3.687  -1.826  -1.287  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.432   1.291  -1.710  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.544   0.994  -0.375  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.984   0.125  -0.101  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.130   2.295  -2.140  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -0.019   1.827   0.661  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.304   1.218   1.159  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -2.500   1.426   0.458  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -3.687   0.828   0.886  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.702   0.008   2.022  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1       -2.506  -0.203   2.720  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -1.317   0.394   2.292  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -4.945  -0.631   2.449  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -5.776  -1.517   1.776  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -5.572  -2.074   0.411  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1       -6.906  -1.913   2.479  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1       -6.916  -1.334   3.658  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1       -5.600  -0.297   4.003  0.00  0.00    -0.075 S 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1        3.886   0.518  -1.818  0.00  0.00    +0.141 C 
ATOM     26  C   LIG    1        5.286   0.276  -2.381  0.00  0.00    +0.025 C 
BRANCH  25  31
ATOM     27  C   LIG    1        4.492   1.919   3.067  0.00  0.00    +0.069 C 
ATOM     28  C   LIG    1        4.185   1.800   1.625  0.00  0.00    +0.081 A 
ATOM     29  N   LIG    1        3.572   2.799   0.980  0.00  0.00    -0.083 NA
ATOM     30  O   LIG    1        3.444   2.380  -0.332  0.00  0.00    -0.359 OA
ATOM     31  C   LIG    1        3.960   1.127  -0.460  0.00  0.00    +0.149 A 
ATOM     32  C   LIG    1        4.446   0.716   0.759  0.00  0.00    +0.071 A 
ENDBRANCH  25  31
ENDBRANCH   1  25
BRANCH   5  33
ATOM     33  O   LIG    1       -1.079  -2.806  -2.928  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -0.576  -3.085  -3.712  0.00  0.00    +0.210 HD
ENDBRANCH   5  33
TORSDOF 7