REMARK  Name = BDB049191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.417  -0.003  -0.576  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1       -0.855  -0.171  -1.484  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.974  -0.030  -0.651  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.706  -0.424  -1.704  0.00  0.00    +0.129 A 
ATOM      5 CL   LIG    1        0.934  -0.953  -3.165  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1        3.198  -0.415  -1.694  0.00  0.00    +0.287 A 
ATOM      7  O   LIG    1        3.843  -0.810  -2.664  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1        3.785   0.073  -0.531  0.00  0.00    -0.231 N 
ATOM      9  C   LIG    1        5.231   0.097  -0.405  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        3.082   0.432   0.590  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1        1.793   0.377   0.520  0.00  0.00    +0.157 A 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -1.217   0.844   0.298  0.00  0.00    +0.146 C 
BRANCH  12  15
ATOM     13  C   LIG    1       -3.217  -1.560   1.078  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -3.558  -0.295   0.372  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -2.686   0.730   0.040  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -3.536   1.969  -0.792  0.00  0.00    -0.079 S 
ATOM     17  C   LIG    1       -4.980   1.063  -0.634  0.00  0.00    +0.156 A 
ATOM     18  N   LIG    1       -4.873  -0.090  -0.014  0.00  0.00    -0.252 NA
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3