REMARK  Name = BDB015400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.850  -0.916  -0.207  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.612  -1.525   0.082  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.375  -2.620  -0.565  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -1.592  -2.921  -1.352  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -2.490  -1.691  -1.288  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.237  -0.898   0.947  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        0.682   0.468   0.600  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        1.941   0.892   1.385  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.117  -0.002   1.225  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.667  -1.404   1.008  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.280  -1.708   1.605  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.946   0.443   0.083  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        4.798   1.672   0.511  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.903   0.703   0.971  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        5.284  -0.348   0.032  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -3.722  -1.450   1.442  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -2.889  -0.349   1.004  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -2.198   0.496   1.952  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.937   0.755   0.067  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1       -5.282   0.437  -0.143  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -6.088   1.315  -0.873  0.00  0.00    +0.061 A 
ATOM     22 CL   LIG    1       -7.739   0.867  -1.119  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -5.551   2.507  -1.379  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1       -6.492   3.631  -2.292  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -4.206   2.820  -1.151  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -3.396   1.947  -0.425  0.00  0.00    +0.030 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4