REMARK  Name = BDB060377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.861  -1.267  -1.454  0.00  0.00    +0.134 C 
ATOM      2  N   LIG    1        0.548  -1.158  -0.034  0.00  0.00    -0.284 N 
ATOM      3  C   LIG    1       -0.688  -0.789   0.493  0.00  0.00    +0.306 C 
ATOM      4  N   LIG    1       -1.710  -0.735  -0.431  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -1.564  -1.280  -1.265  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1       -0.829  -0.556   1.691  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.020  -0.248  -0.234  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -3.954  -0.519  -1.247  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -5.265  -0.040  -1.093  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -5.670   0.699   0.020  0.00  0.00    +0.102 A 
ATOM     11  N   LIG    1       -7.003   1.095   0.009  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -7.632   0.682  -1.078  0.00  0.00    -0.109 NA
ATOM     13  C   LIG    1       -4.719   0.972   1.020  0.00  0.00    +0.032 A 
ATOM     14  S   LIG    1       -6.647  -0.188  -2.110  0.00  0.00    +0.037 S 
ATOM     15  C   LIG    1       -3.405   0.499   0.880  0.00  0.00    +0.025 A 
ENDBRANCH   4   7
BRANCH   2  16
ATOM     16  C   LIG    1        1.631  -1.457   0.902  0.00  0.00    +0.144 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.624  -0.322   1.027  0.00  0.00    -0.028 A 
ATOM     18  C   LIG    1        3.908  -0.427   0.472  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.813   0.639   0.592  0.00  0.00    +0.127 A 
ATOM     20  C   LIG    1        4.452   1.812   1.265  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.177   1.917   1.819  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.272   0.859   1.700  0.00  0.00    +0.005 A 
BRANCH  19  23
ATOM     23  N   LIG    1        6.152   0.523   0.000  0.00  0.00    +0.056 N 
ATOM     24  O   LIG    1        6.946   1.458   0.178  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        6.408  -0.502  -0.647  0.00  0.00    -0.126 OA
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4