REMARK  Name = BDB052898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.128  -0.864   3.871  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -0.882  -0.955   2.748  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -0.490  -0.376   1.368  0.00  0.00    +0.131 C 
ATOM      4  C   LIG    1       -1.395  -0.858   0.203  0.00  0.00    +0.071 C 
ATOM      5  C   LIG    1       -2.742  -1.218   0.698  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.937  -1.476   2.031  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -4.250  -1.823   2.159  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1       -4.736  -2.087   3.008  0.00  0.00    +0.191 HD
ATOM      9  N   LIG    1       -4.926  -1.799   0.990  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1       -3.994  -1.447   0.097  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -2.057  -1.439   3.051  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.578   0.204  -0.873  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1       -1.093  -0.040  -2.169  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -1.197   0.933  -3.165  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.789   2.161  -2.882  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.279   2.419  -1.604  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.174   1.450  -0.606  0.00  0.00    +0.004 A 
ENDBRANCH   4  12
BRANCH   3  18
ATOM     18  C   LIG    1        0.951  -0.664   0.970  0.00  0.00    +0.227 C 
ATOM     19  N   LIG    1        1.483   0.306   0.134  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1        0.863   1.055  -0.159  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.526  -1.679   1.348  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.773   0.341  -0.435  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.776  -0.593  -0.161  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        5.030  -0.482  -0.770  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.279   0.562  -1.651  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1        6.481   0.665  -2.233  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        4.297   1.500  -1.936  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        3.044   1.390  -1.327  0.00  0.00    +0.026 A 
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 3