REMARK  Name = BDB015486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.138   1.181   0.651  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.159   0.918   0.444  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.528  -0.380   0.416  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.618  -1.399   0.590  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.678  -1.002   0.805  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -1.096   0.262   0.847  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.967  -0.661   0.171  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        3.661   0.175  -0.625  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        5.003  -0.016  -0.912  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        5.658   0.934  -1.799  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        5.735  -1.086  -0.403  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        6.920  -1.295  -0.651  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.986  -2.011   0.507  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.760  -3.148   1.095  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        3.687  -1.782   0.758  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -1.734  -1.918   0.984  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -2.528  -1.506   1.473  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.207  -2.813  -0.356  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -1.026  -3.422  -0.930  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.319  -3.628   0.087  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.841  -1.567  -1.512  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -3.231  -2.244  -2.826  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -4.031  -0.809  -0.932  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1       -0.464   2.533   0.668  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -1.722   3.254   3.116  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -2.456   3.211   1.806  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -1.808   2.829   0.619  0.00  0.00    +0.153 A 
ATOM     28  C   LIG    1       -2.502   2.816  -0.601  0.00  0.00    +0.085 A 
ATOM     29 CL   LIG    1       -1.720   2.408  -2.086  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1       -3.858   3.141  -0.638  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -4.511   3.486   0.542  0.00  0.00    +0.043 A 
ATOM     32 CL   LIG    1       -6.187   3.871   0.503  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1       -3.822   3.525   1.756  0.00  0.00    +0.027 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6