REMARK  Name = BDB015688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.106  -1.084   0.082  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.312  -0.180  -0.876  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1        0.217   0.442  -1.320  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1       -1.029   0.228  -0.879  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -1.184  -0.693   0.093  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.118  -1.384   0.627  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.571  -0.875   0.584  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.051  -2.110   0.826  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.347  -2.327   1.273  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.782  -3.695   1.508  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.248  -1.286   1.488  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -6.403  -1.419   1.881  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.732   0.078   1.204  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.475   0.250   0.777  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.286  -1.683   0.577  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.200  -2.633   0.932  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.156  -0.752   1.677  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.932  -1.722   2.423  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.248   0.145   2.359  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.264   0.167   0.608  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.219   0.529   2.207  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.126   1.172   1.367  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1        0.454   1.378  -2.301  0.00  0.00    -0.460 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -0.707   2.038  -2.816  0.00  0.00    +0.171 C 
ATOM     25  C   LIG    1       -0.356   2.498  -4.229  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -1.053   3.245  -1.947  0.00  0.00    +0.052 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7