REMARK  Name = BDB015528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.436  -0.539  -0.679  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.767  -0.706  -1.226  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.515   0.403  -1.311  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.138   1.626  -0.911  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.085   1.736  -0.351  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.914   0.648  -0.187  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.498   3.089   0.104  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.444   3.934   0.562  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.142   5.209   1.016  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.232   6.041   1.503  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.157   5.710   1.034  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        1.465   6.823   1.455  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.215   4.797   0.491  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.610   5.332   0.451  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        1.871   3.572   0.059  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.123  -1.774  -0.561  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        0.488  -2.482  -0.942  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.595  -1.873  -1.378  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.355  -0.657  -1.181  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.295  -2.356  -2.708  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.407  -3.196  -0.490  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.427  -3.057   1.029  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.692  -1.882   1.177  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.231  -1.886   1.598  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -2.772   0.342  -1.897  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.382  -0.901  -1.879  0.00  0.00    +0.141 A 
ATOM     27  C   LIG    1       -3.848  -1.499  -0.685  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -3.836  -1.127   0.689  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1       -4.446  -2.132   1.404  0.00  0.00    +0.086 A 
ATOM     30  N   LIG    1       -4.838  -3.099   0.517  0.00  0.00    -0.350 N 
ATOM     31  C   LIG    1       -5.526  -4.319   0.879  0.00  0.00    +0.149 C 
ATOM     32  C   LIG    1       -4.492  -2.739  -0.769  0.00  0.00    +0.052 A 
ATOM     33  C   LIG    1       -4.695  -3.391  -1.998  0.00  0.00    +0.026 A 
ATOM     34  C   LIG    1       -4.246  -2.761  -3.163  0.00  0.00    +0.006 A 
ATOM     35  C   LIG    1       -3.605  -1.527  -3.110  0.00  0.00    +0.047 A 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8