REMARK  Name = BDB015478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.349  -1.040   1.087  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.426  -0.152   0.682  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.810  -0.624   0.432  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.141  -1.948   0.617  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.114  -2.755   1.043  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        1.138  -2.349   1.261  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.797   0.387  -0.017  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.647   0.103  -1.022  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.578   1.021  -1.482  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.457   0.626  -2.573  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.692   2.307  -0.952  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.512   3.140  -1.332  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.729   2.648   0.143  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.808   4.030   0.707  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.849   1.722   0.557  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -0.306  -4.145   1.201  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1       -1.228  -4.446   1.515  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        0.189  -5.084  -0.101  0.00  0.00    +0.041 S 
ATOM     19  O   LIG    1        0.097  -4.306  -1.317  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -0.544  -6.327   0.034  0.00  0.00    -0.155 OA
ATOM     21  C   LIG    1        1.896  -5.411   0.288  0.00  0.00    +0.218 C 
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  22
ATOM     22  O   LIG    1        2.651  -0.619   1.337  0.00  0.00    -0.422 OA
BRANCH  22  25
ATOM     23  C   LIG    1        3.741   0.360  -1.109  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1        3.429   1.251   0.059  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1        2.870   0.737   1.242  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1        2.593   1.581   2.327  0.00  0.00    +0.085 A 
ATOM     27 CL   LIG    1        1.964   0.968   3.815  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        2.829   2.952   2.225  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        3.350   3.470   1.043  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1        3.635   5.162   0.910  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        3.651   2.633  -0.033  0.00  0.00    +0.027 A 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 5