REMARK  Name = BDB033718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.707   1.288  -1.158  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -1.425   2.213  -2.136  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -0.091   2.474  -2.316  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        0.885   1.877  -1.601  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.513   0.984  -0.676  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -0.761   0.668  -0.424  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.426   2.859  -2.913  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -3.233   3.393  -3.552  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        1.454   0.315   0.092  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.935  -0.029   0.895  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.688   1.044   0.402  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        3.240   0.574   1.757  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        3.800  -0.840   1.687  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.846  -0.945   0.643  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        4.337  -0.557  -0.696  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        3.740   0.846  -0.697  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        6.418  -0.488   1.083  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1        6.646  -0.925   2.444  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        6.611   0.894   0.703  0.00  0.00    -0.158 OA
ATOM     20  C   LIG    1        7.411  -1.518   0.022  0.00  0.00    +0.215 C 
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  O   LIG    1       -3.037   0.971  -0.945  0.00  0.00    -0.469 OA
BRANCH  21  24
ATOM     22  C   LIG    1       -4.878   0.219   2.188  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -4.754   0.389   0.668  0.00  0.00    +0.105 C 
ATOM     24  C   LIG    1       -3.305   0.082   0.165  0.00  0.00    +0.207 C 
ATOM     25  C   LIG    1       -3.138  -1.366  -0.350  0.00  0.00    +0.053 C 
ATOM     26  C   LIG    1       -4.085  -2.358   0.303  0.00  0.00    +0.079 C 
ATOM     27  C   LIG    1       -5.542  -1.955   0.112  0.00  0.00    +0.252 C 
ATOM     28  F   LIG    1       -6.250  -2.391   1.186  0.00  0.00    -0.206 F 
ATOM     29  F   LIG    1       -6.049  -2.613  -0.964  0.00  0.00    -0.206 F 
ATOM     30  C   LIG    1       -5.776  -0.466  -0.084  0.00  0.00    +0.113 C 
BRANCH  23  31
ATOM     31  O   LIG    1       -5.069   1.772   0.426  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -4.793   1.977  -0.487  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7