REMARK  Name = BDB032916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.903  -1.833  -0.614  0.00  0.00    -0.261 N 
ATOM      2  H   LIG    1        1.357  -2.673  -0.949  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1       -0.424  -2.003  -0.324  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1       -0.909  -3.135  -0.321  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.335  -0.889  -0.033  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -1.762  -0.002  -1.027  0.00  0.00    +0.053 A 
ATOM      7 CL   LIG    1       -1.224  -0.115  -2.663  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -2.660   1.018  -0.699  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -3.142   1.137   0.607  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.739   0.231   1.589  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.843  -0.789   1.270  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  14
ATOM     12  C   LIG    1        2.920   1.280  -0.027  0.00  0.00    +0.166 A 
ATOM     13  S   LIG    1        1.355   0.691   0.279  0.00  0.00    -0.030 S 
ATOM     14  C   LIG    1        1.759  -0.771  -0.498  0.00  0.00    +0.167 A 
ATOM     15  N   LIG    1        2.997  -0.863  -0.932  0.00  0.00    -0.231 NA
ATOM     16  C   LIG    1        3.665   0.323  -0.676  0.00  0.00    +0.152 A 
BRANCH  12  18
ATOM     17  O   LIG    1        4.536   2.887   0.083  0.00  0.00    -0.143 OA
ATOM     18  N   LIG    1        3.365   2.620   0.375  0.00  0.00    -0.022 NA
ENDBRANCH  12  18
ENDBRANCH   1  14
TORSDOF 3