REMARK  Name = BDB002186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.759   2.834   0.274  0.00  0.00    -0.279 NA
ATOM      2  H   LIG    1        1.829   3.267   0.334  0.00  0.00    +0.189 HD
ATOM      3  C   LIG    1        2.596   1.569   0.127  0.00  0.00    +0.167 C 
ATOM      4  N   LIG    1        3.527   0.575   0.000  0.00  0.00    -0.192 N 
ATOM      5  C   LIG    1        3.017  -0.707  -0.145  0.00  0.00    +0.265 C 
ATOM      6  O   LIG    1        3.606  -1.774  -0.277  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.519  -0.667  -0.125  0.00  0.00    +0.081 C 
ATOM      8  C   LIG    1        0.815  -1.802  -0.251  0.00  0.00    +0.066 C 
ATOM      9  S   LIG    1        0.973   0.946   0.071  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        4.910   0.746   0.005  0.00  0.00    +0.173 A 
ATOM     11  S   LIG    1        5.628   2.302   0.180  0.00  0.00    -0.060 S 
ATOM     12  C   LIG    1        7.191   1.621   0.084  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        7.084   0.261  -0.075  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        5.794  -0.225  -0.118  0.00  0.00    -0.233 NA
ENDBRANCH   4  10
BRANCH   8  15
ATOM     15  C   LIG    1       -0.604  -1.910  -0.248  0.00  0.00    +0.130 A 
ATOM     16  O   LIG    1       -1.483  -0.861  -0.116  0.00  0.00    -0.455 OA
ATOM     17  C   LIG    1       -2.762  -1.329  -0.157  0.00  0.00    +0.136 A 
ATOM     18  C   LIG    1       -2.735  -2.696  -0.318  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -1.369  -3.064  -0.376  0.00  0.00    +0.050 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.821  -0.330  -0.028  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -3.518   1.032   0.128  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.538   1.976   0.250  0.00  0.00    +0.042 A 
ATOM     23 CL   LIG    1       -4.143   3.640   0.442  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -5.874   1.584   0.218  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -6.192   0.237   0.063  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.171  -0.712  -0.059  0.00  0.00    +0.011 A 
ENDBRANCH  17  20
ENDBRANCH   8  15
TORSDOF 3