REMARK  Name = BDB002658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.619   0.770   0.414  0.00  0.00    +0.102 A 
ATOM      2  C   LIG    1       -0.585   0.126   1.153  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.938  -1.208   1.135  0.00  0.00    +0.124 A 
ATOM      4  N   LIG    1       -2.094  -1.321   0.394  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -2.549  -0.106   0.013  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -2.155   6.389  -0.817  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -2.006   4.936  -0.473  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -3.095   4.211   0.024  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.968   2.848   0.309  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.750   2.191   0.099  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.669   2.909  -0.427  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -0.798   4.271  -0.712  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1       -2.810  -2.506   0.059  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -4.015  -2.404  -0.654  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.735  -3.551  -0.992  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.258  -4.808  -0.624  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.059  -4.919   0.079  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -2.333  -3.774   0.421  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   2  19
ATOM     19  C   LIG    1        0.520   0.765   1.835  0.00  0.00    +0.143 C 
ATOM     20  N   LIG    1        1.722   0.301   2.017  0.00  0.00    -0.174 NA
BRANCH  20  21
ATOM     21  N   LIG    1        2.115  -0.979   1.376  0.00  0.00    -0.137 N 
ATOM     22  H   LIG    1        1.687  -1.840   1.718  0.00  0.00    +0.197 HD
BRANCH  21  23
ATOM     23  S   LIG    1        2.387  -1.037  -0.309  0.00  0.00    +0.086 S 
ATOM     24  O   LIG    1        1.978   0.212  -0.917  0.00  0.00    -0.149 OA
ATOM     25  O   LIG    1        1.849  -2.311  -0.743  0.00  0.00    -0.149 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.155  -1.123  -0.375  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        4.904  -0.038   0.094  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        6.296  -0.092   0.041  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.932  -1.220  -0.481  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.179  -2.298  -0.953  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.786  -2.253  -0.903  0.00  0.00    +0.029 A 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   2  19
TORSDOF 6