REMARK  Name = BDB015558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.671  -1.677  -0.769  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.410  -0.396  -0.487  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        0.116  -0.082  -0.313  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -0.895  -0.958  -0.422  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1       -0.561  -2.234  -0.683  0.00  0.00    +0.226 A 
ATOM      6  C   LIG    1        0.726  -2.662  -0.873  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.210   1.333   0.010  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.489   1.686   0.245  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -1.859   2.986   0.555  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.269   3.263   0.785  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.939   4.029   0.642  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -1.234   5.193   0.901  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.491   3.656   0.392  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.502   4.753   0.492  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        0.797   2.383   0.096  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.051  -1.971  -0.896  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.267  -2.675  -1.601  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.818  -2.414   0.536  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.604  -3.576   0.174  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.867  -2.479   1.623  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.962  -1.066   0.814  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.281   1.353   1.411  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.287   0.286   0.985  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  24
ATOM     24  O   LIG    1       -1.557  -3.201  -0.805  0.00  0.00    -0.436 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.818  -2.813  -0.408  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1       -3.193  -2.894   0.940  0.00  0.00    +0.083 A 
ATOM     27 CL   LIG    1       -2.107  -3.475   2.149  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -4.477  -2.511   1.329  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -5.389  -2.061   0.375  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.024  -2.003  -0.972  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -3.741  -2.393  -1.383  0.00  0.00    -0.007 A 
ATOM     32  C   LIG    1       -3.361  -2.310  -2.833  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7