REMARK  Name = BDB015414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.861  -0.197   3.328  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -0.114  -1.262   3.232  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.534   0.049   4.589  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1        4.145  -1.103   0.249  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        4.427  -0.353   1.409  0.00  0.00    +0.064 A 
ATOM      6 CL   LIG    1        6.022   0.253   1.710  0.00  0.00    -0.082 Cl
ATOM      7  C   LIG    1        3.434  -0.069   2.349  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        2.136  -0.527   2.126  0.00  0.00    +0.110 A 
ATOM      9  C   LIG    1        1.844  -1.302   1.002  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        2.844  -1.580   0.064  0.00  0.00    +0.027 A 
BRANCH   4  13
ATOM     11  C   LIG    1        6.474  -2.074  -2.567  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        5.133  -1.999  -1.881  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1        5.197  -1.348  -0.666  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        6.097  -0.964  -0.391  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        4.128  -2.458  -2.414  0.00  0.00    -0.276 OA
ENDBRANCH   4  13
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  N   LIG    1        0.205   1.261   2.797  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.353   1.536   1.534  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1       -0.241   2.771   1.155  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        0.370   3.510   2.284  0.00  0.00    +0.166 C 
ATOM     20  C   LIG    1        0.899   2.473   3.266  0.00  0.00    +0.158 C 
BRANCH  17  21
ATOM     21  N   LIG    1       -0.922   0.529   0.807  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1       -2.077  -0.201   1.381  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -3.356   0.027   0.550  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -3.252  -0.481  -0.842  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1       -1.855  -0.374  -1.329  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -1.027   0.737  -0.655  0.00  0.00    +0.123 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -4.158   0.287  -1.710  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1       -5.636  -0.049  -1.370  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -5.885  -0.108  -2.892  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -4.396  -0.485  -3.037  0.00  0.00    +0.019 C 
ENDBRANCH  24  27
ENDBRANCH  17  21
ENDBRANCH   1  16
TORSDOF 5