REMARK  Name = BDB022105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.513   1.722   1.867  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.380   0.309   1.419  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        0.802  -0.244   0.918  0.00  0.00    -0.202 N 
ATOM      4  N   LIG    1        0.654  -1.583   0.687  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -0.599  -1.856   1.037  0.00  0.00    +0.148 A 
ATOM      6  C   LIG    1       -1.316  -0.717   1.437  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.061   0.417   0.643  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        3.079  -0.333   0.171  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        4.249   0.284  -0.085  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        4.427   1.637   0.111  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.338   2.325   0.589  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        2.154   1.748   0.858  0.00  0.00    -0.219 NA
BRANCH   9  13
ATOM     13  C   LIG    1        5.330  -0.566  -0.606  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        5.405  -2.235  -0.187  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        6.829  -2.481  -1.097  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        7.253  -1.327  -1.713  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        6.393  -0.226  -1.429  0.00  0.00    +0.017 A 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   6  18
ATOM     18  C   LIG    1       -2.698  -0.678   1.882  0.00  0.00    +0.250 C 
ATOM     19  N   LIG    1       -3.581   0.173   1.207  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1       -4.928   0.300   1.740  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1       -3.058  -1.387   2.820  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.343   0.705  -0.141  0.00  0.00    +0.110 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.369  -0.348  -1.268  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -2.912   0.297  -2.579  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -4.749  -0.977  -1.457  0.00  0.00    +0.009 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   6  18
TORSDOF 5