REMARK  Name = BDB059468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.119  -0.532   0.421  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.128   0.834   0.489  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -0.837   1.240   0.205  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.665   2.612   0.200  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -1.671   3.459   0.469  0.00  0.00    -0.202 NA
ATOM      6  C   LIG    1       -2.863   2.930   0.760  0.00  0.00    +0.216 A 
ATOM      7 CL   LIG    1        0.832   3.288  -0.218  0.00  0.00    -0.061 Cl
ATOM      8  C   LIG    1       -0.112   0.035  -0.008  0.00  0.00    +0.105 A 
ATOM      9  N   LIG    1       -3.174   1.629   0.767  0.00  0.00    -0.195 NA
ATOM     10  N   LIG    1       -0.911  -1.041   0.096  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.303  -0.147  -0.312  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.280   0.288   0.602  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        3.627   0.086   0.276  0.00  0.00    +0.112 A 
ATOM     14  C   LIG    1        3.946  -0.537  -0.920  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1        5.306  -0.615  -0.997  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        5.727  -0.022   0.156  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        3.020  -0.996  -1.847  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1        4.777   0.400   0.955  0.00  0.00    -0.196 NA
ATOM     19  C   LIG    1        1.676  -0.788  -1.510  0.00  0.00    +0.014 A 
BRANCH  16  20
ATOM     20  N   LIG    1        7.048   0.030   0.342  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.342   0.156   1.303  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        7.597  -0.648  -0.169  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   8  11
BRANCH   1  24
ATOM     23  C   LIG    1       -3.002  -2.352   1.835  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -3.254  -1.419   0.650  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.610  -2.205  -0.611  0.00  0.00    +0.032 C 
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  N   LIG    1       -3.882   3.818   1.036  0.00  0.00    -0.327 N 
ATOM     27  H   LIG    1       -3.676   4.724   0.639  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -4.781   3.409   0.827  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4