REMARK  Name = BDB031127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.178  -0.027  -1.283  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -2.226   0.274  -0.483  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -3.340   0.775  -1.048  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -3.424   0.997  -2.420  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.346   0.665  -3.237  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.200   0.136  -2.660  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.992   0.267  -0.489  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.439  -0.753   0.204  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        2.032  -0.980   0.146  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        1.271  -0.138  -0.663  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1       -0.037  -0.581  -0.578  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        0.007  -1.611   0.345  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        1.830   0.931  -1.366  0.00  0.00    +0.097 A 
ATOM     14  N   LIG    1        1.287  -1.874   0.758  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        3.154   1.147  -1.295  0.00  0.00    +0.064 A 
BRANCH   7  16
ATOM     16  O   LIG    1        5.315   0.625  -0.543  0.00  0.00    -0.489 OA
BRANCH  16  18
ATOM     17  C   LIG    1        6.377   0.364   1.621  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        6.292  -0.132   0.181  0.00  0.00    +0.167 C 
ATOM     19  C   LIG    1        7.627   0.085  -0.527  0.00  0.00    +0.051 C 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1       -4.424   1.145  -0.249  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -5.308   0.814  -0.632  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.322   0.823   1.189  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.417  -0.673   1.494  0.00  0.00    +0.201 C 
ATOM     24  F   LIG    1       -3.862  -0.905   2.723  0.00  0.00    -0.242 F 
ATOM     25  C   LIG    1       -5.918  -0.960   1.595  0.00  0.00    +0.119 C 
ATOM     26  N   LIG    1       -6.617   0.338   1.547  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -7.370   0.360   2.235  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -5.585   1.333   1.898  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5