REMARK  Name = BDB002575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.299  -0.163   0.898  0.00  0.00    +0.186 A 
ATOM      2  N   LIG    1        1.913  -0.990  -0.016  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1        3.022  -1.477   0.629  0.00  0.00    +0.207 A 
ATOM      4  N   LIG    1        3.084  -0.987   1.847  0.00  0.00    -0.121 NA
ATOM      5  N   LIG    1        2.008  -0.154   2.015  0.00  0.00    -0.129 NA
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.490  -1.263  -1.355  0.00  0.00    -0.239 N 
ATOM      7  H   LIG    1        0.472  -1.289  -1.420  0.00  0.00    +0.143 HD
ATOM      8  H   LIG    1        1.808  -0.546  -2.003  0.00  0.00    +0.143 HD
ENDBRANCH   2   6
BRANCH   1   9
ATOM      9  C   LIG    1        0.066   0.622   0.630  0.00  0.00    +0.306 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -0.901  -0.277   0.086  0.00  0.00    -0.484 OA
BRANCH  10  15
ATOM     11  C   LIG    1       -5.997   1.544  -1.629  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.632   1.101  -1.190  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -4.246  -0.236  -1.314  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.987  -0.650  -0.872  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -2.100   0.260  -0.295  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -2.488   1.592  -0.151  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -3.749   2.008  -0.593  0.00  0.00    +0.007 A 
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  S   LIG    1        4.186  -2.527  -0.093  0.00  0.00    -0.073 S 
BRANCH  18  19
ATOM     19  C   LIG    1        5.339  -2.765   1.286  0.00  0.00    +0.197 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.266  -1.583   1.449  0.00  0.00    +0.315 C 
ATOM     21  O   LIG    1        7.427  -1.578   1.060  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.725  -0.515   2.078  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        4.767  -0.612   2.292  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8