REMARK  Name = BDB062275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.197   0.552   0.817  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -3.143  -0.195   0.128  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -3.121  -1.668  -0.120  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -4.522  -2.270  -0.085  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -5.309  -1.950  -1.260  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -5.766  -2.717  -1.739  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -5.822  -0.738  -1.643  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -5.386   0.541  -1.032  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -6.190   1.675  -1.254  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -5.822   2.913  -0.752  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -6.611   3.972  -0.978  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.649   3.090  -0.025  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -3.852   1.961   0.186  0.00  0.00    +0.051 A 
ATOM     14  O   LIG    1       -6.679  -0.727  -2.527  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -4.188   0.691  -0.292  0.00  0.00    +0.016 A 
ATOM     16  N   LIG    1       -2.652   1.847   0.846  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1       -2.156   2.617   1.274  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1        1.288  -0.833   1.240  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        0.057  -0.473   0.669  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -0.927   0.172   1.429  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1       -0.674   0.454   2.777  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        0.544   0.099   3.356  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.520  -0.541   2.591  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        2.349  -1.528   0.413  0.00  0.00    +0.119 C 
BRANCH  24  28
ATOM     25  C   LIG    1        5.904   0.674  -0.183  0.00  0.00    +0.053 C 
ATOM     26  C   LIG    1        4.699   1.086  -1.021  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1        3.406   0.505  -0.427  0.00  0.00    +0.086 C 
ATOM     28  N   LIG    1        3.600  -0.760   0.308  0.00  0.00    -0.298 NA
ATOM     29  C   LIG    1        4.669  -1.562  -0.284  0.00  0.00    +0.086 C 
ATOM     30  C   LIG    1        6.024  -0.857  -0.140  0.00  0.00    +0.034 C 
BRANCH  25  31
ATOM     31  N   LIG    1        7.134   1.287  -0.692  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1        7.317   0.963  -1.641  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1        7.925   0.976  -0.129  0.00  0.00    +0.118 HD
ENDBRANCH  25  31
ENDBRANCH  24  28
ENDBRANCH  18  24
ENDBRANCH   1  20
TORSDOF 4