REMARK  Name = BDB029636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.368  -1.586   0.777  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.650  -2.604   1.117  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        2.048  -2.004   1.456  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        2.990  -3.154   1.827  0.00  0.00    +0.029 C 
ATOM      5  N   LIG    1        2.586  -1.257   0.287  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1        1.572  -0.794  -0.690  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1        0.227  -0.475   0.003  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        3.746  -0.490   0.381  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        4.286  -0.045   1.592  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        5.456   0.714   1.622  0.00  0.00    +0.156 A 
ATOM     11  F   LIG    1        5.923   1.121   2.810  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1        6.085   1.020   0.427  0.00  0.00    +0.160 A 
ATOM     13  N   LIG    1        5.616   0.609  -0.788  0.00  0.00    -0.246 NA
ATOM     14  C   LIG    1        4.477  -0.130  -0.764  0.00  0.00    +0.134 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.344   1.830   0.397  0.00  0.00    +0.265 C 
ATOM     16  N   LIG    1        7.814   2.086  -0.878  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.324   1.619  -1.637  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        9.077   2.732  -1.115  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        7.908   2.217   1.412  0.00  0.00    -0.268 OA
ENDBRANCH  12  15
ENDBRANCH   5   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.513  -2.213   0.102  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.880   1.331  -0.998  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -6.429   0.724  -2.299  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -7.038   0.916  -3.348  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.304  -0.059  -2.275  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -5.024  -0.456  -3.162  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.572  -0.312  -1.111  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -4.981   0.244   0.098  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -4.337   0.049   1.267  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -3.232  -0.733   1.219  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -2.735  -1.330   0.059  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -3.437  -1.113  -1.133  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -6.173   1.085   0.121  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -8.615   2.817   0.203  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.123   2.182  -1.093  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5