REMARK  Name = BDB015513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.620  -0.153  -0.975  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.840  -1.055  -0.368  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -0.444  -0.697  -0.197  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -0.966   0.468  -0.611  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1       -0.130   1.315  -1.239  0.00  0.00    +0.226 A 
ATOM      6  C   LIG    1        1.196   1.055  -1.457  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.367  -1.640   0.489  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -0.889  -2.777   1.031  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -1.702  -3.692   1.683  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.085  -4.887   2.238  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.076  -3.506   1.829  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.824  -4.297   2.399  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.628  -2.247   1.237  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.099  -2.019   1.381  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.799  -1.393   0.616  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.947  -0.629  -1.134  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.946  -1.602  -0.820  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.119   0.205  -0.237  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.265  -0.524   1.003  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.833   1.623  -0.266  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.554  -0.095  -1.261  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.390   0.148   0.491  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        6.792   0.671  -0.805  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       -0.602   2.541  -1.702  0.00  0.00    -0.436 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.962   2.735  -1.595  0.00  0.00    +0.152 A 
ATOM     26  C   LIG    1       -2.822   2.282  -2.607  0.00  0.00    +0.085 A 
ATOM     27 CL   LIG    1       -2.219   1.477  -4.011  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -4.197   2.482  -2.497  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1       -4.705   3.144  -1.382  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1       -6.403   3.382  -1.235  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -3.853   3.620  -0.383  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -2.466   3.437  -0.487  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -1.560   3.935   0.602  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7