REMARK  Name = BDB060342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.798   0.411   0.845  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -4.726   0.352  -0.026  0.00  0.00    -0.226 N 
ATOM      3  C   LIG    1       -5.153   0.663  -1.304  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -4.196   0.660  -2.344  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -2.926   0.348  -2.067  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.595   0.015  -0.652  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -6.503   0.926  -1.247  0.00  0.00    +0.069 A 
ATOM      8 CL   LIG    1       -7.534   1.362  -2.525  0.00  0.00    -0.081 Cl
ATOM      9  N   LIG    1       -3.444   0.027   0.333  0.00  0.00    -0.166 NA
ATOM     10  C   LIG    1       -6.909   0.770   0.092  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.175  -0.330  -0.371  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -0.588   0.149   0.805  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.741  -0.162   1.101  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.497  -0.962   0.231  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        0.897  -1.452  -0.938  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -0.433  -1.141  -1.238  0.00  0.00    +0.010 A 
BRANCH  14  17
ATOM     17  C   LIG    1        2.936  -1.304   0.563  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.804  -0.121   0.668  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1        3.921   0.580  -0.632  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        5.208   1.422  -0.745  0.00  0.00    +0.096 C 
ATOM     21  N   LIG    1        6.441   0.618  -0.673  0.00  0.00    -0.314 NA
ATOM     22  H   LIG    1        7.174   1.196  -0.264  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        6.249  -0.589   0.146  0.00  0.00    +0.096 C 
ATOM     24  C   LIG    1        5.134  -0.472   1.207  0.00  0.00    +0.100 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  28
ATOM     25  N   LIG    1       -4.587  -0.205   2.812  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.764  -0.316   2.228  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -4.551  -0.434   3.793  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -5.783   0.149   2.265  0.00  0.00    +0.260 C 
ATOM     29  O   LIG    1       -6.776   0.225   2.983  0.00  0.00    -0.269 OA
ENDBRANCH   1  28
TORSDOF 4