REMARK  Name = BDB059674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.089   0.985  -0.156  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.320   1.864  -0.183  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1        1.302   3.078  -0.340  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1        2.538   1.181  -0.012  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1        2.658  -0.183   0.171  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1        3.999  -0.446   0.297  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1        4.623   0.808   0.180  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1        1.529  -0.924   0.187  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1        1.538  -1.938   0.317  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1        3.751   1.804  -0.007  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1        0.281  -0.346   0.027  0.00  0.00    +0.057 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -0.845  -1.295   0.070  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -1.463  -1.601   1.291  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.528  -2.503   1.331  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.974  -3.103   0.154  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.286  -4.214   0.205  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.363  -2.809  -1.064  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.298  -1.906  -1.107  0.00  0.00    +0.011 A 
ENDBRANCH  11  12
BRANCH   1  20
ATOM     19  C   LIG    1       -1.398   2.333  -1.710  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -1.259   1.669  -0.337  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -1.571   2.653   0.794  0.00  0.00    +0.012 C 
ENDBRANCH   1  20
BRANCH   6  22
ATOM     22  C   LIG    1        4.614  -1.711   0.501  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        5.104  -2.749   0.668  0.00  0.00    -0.191 NA
ENDBRANCH   6  22
TORSDOF 3