REMARK  Name = BDB030779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.236   2.139   0.596  0.00  0.00    +0.013 C 
ATOM      2  C   LIG    1       -4.287   1.330  -0.291  0.00  0.00    +0.043 C 
ATOM      3  C   LIG    1       -2.816   1.776  -0.106  0.00  0.00    +0.073 C 
ATOM      4  C   LIG    1       -2.284   1.702   1.328  0.00  0.00    +0.028 C 
ATOM      5  N   LIG    1       -1.914   1.055  -1.028  0.00  0.00    -0.337 N 
ATOM      6  H   LIG    1       -2.299   1.164  -1.971  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1       -1.656  -0.314  -0.857  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -0.247  -0.715  -0.659  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        0.086  -2.071  -0.518  0.00  0.00    +0.054 A 
ATOM     10  N   LIG    1       -0.942  -3.057  -0.568  0.00  0.00    -0.308 N 
ATOM     11  C   LIG    1       -2.279  -2.717  -0.745  0.00  0.00    +0.295 A 
ATOM     12  O   LIG    1       -3.188  -3.548  -0.767  0.00  0.00    -0.264 OA
ATOM     13  C   LIG    1       -0.607  -4.465  -0.428  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1        1.432  -2.420  -0.332  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        2.433  -1.443  -0.282  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.124  -0.093  -0.428  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        0.779   0.252  -0.611  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -2.610  -1.263  -0.894  0.00  0.00    +0.207 A 
ATOM     19  O   LIG    1       -3.943  -0.947  -1.122  0.00  0.00    -0.485 OA
ATOM     20  C   LIG    1       -4.503  -0.171  -0.059  0.00  0.00    +0.234 C 
ENDROOT
BRANCH  16  21
ATOM     21  N   LIG    1        3.085   0.932  -0.348  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.812   1.765  -0.867  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.346   0.993   0.287  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        5.382   1.798  -0.222  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        6.610   1.774   0.428  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1        7.966   2.707  -0.083  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1        6.882   1.026   1.521  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        5.880   0.264   1.993  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.621   0.212   1.417  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1        5.183   2.617  -1.375  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        4.965   3.279  -2.303  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH  16  21
TORSDOF 3