REMARK  Name = BDB015485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.123   0.146   0.392  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.959  -1.156   0.150  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.313  -1.552   0.026  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.389  -0.754   0.124  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.166   0.548   0.385  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.104   1.049   0.560  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.380   1.392   0.513  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.389   2.651   0.032  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.506   3.470   0.118  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.422   4.816  -0.427  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.700   3.046   0.696  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.715   3.727   0.805  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.708   1.650   1.204  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.611   0.889   1.106  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.495   0.473   0.554  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.000  -0.411   0.453  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.109   1.576  -0.568  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.491   0.823  -1.740  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.203   2.701  -0.672  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.581   2.163   0.262  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.502   1.091   0.835  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.257  -0.663   0.402  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.213   0.249  -0.225  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.478  -2.908  -0.237  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.779  -3.355  -0.288  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -2.460  -3.703   0.888  0.00  0.00    +0.085 A 
ATOM     27 CL   LIG    1       -1.708  -3.581   2.439  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -3.773  -4.168   0.826  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1       -4.396  -4.293  -0.413  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1       -6.019  -4.858  -0.495  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -3.718  -3.970  -1.590  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -2.393  -3.513  -1.543  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -1.675  -3.155  -2.813  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8