REMARK  Name = BDB028409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.212  -0.413  -1.617  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.116  -0.133  -0.580  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.090   0.860  -0.741  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.175   1.545  -1.952  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.231   2.555  -2.135  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.083   2.735  -1.074  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        4.820   3.427  -1.182  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.012   2.106   0.129  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.340   3.184  -3.181  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.282   1.267  -2.993  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.068   1.229   0.315  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.301   0.290  -2.823  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -3.609  -3.111   0.089  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.489  -2.606  -0.672  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -1.765  -1.453  -0.444  0.00  0.00    +0.080 A 
ATOM     16  C   LIG    1       -0.805  -1.431  -1.447  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.065  -2.576  -2.228  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -2.080  -3.296  -1.754  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.039  -0.510   0.647  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1       -2.540   0.783   0.414  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1       -2.757   1.657   1.493  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.480   1.256   2.801  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.987  -0.023   3.039  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -1.771  -0.889   1.971  0.00  0.00    +0.134 A 
ATOM     25  F   LIG    1       -1.290  -2.114   2.234  0.00  0.00    -0.205 F 
BRANCH  20  26
ATOM     26  C   LIG    1       -2.857   1.245  -0.909  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -3.122   1.642  -1.966  0.00  0.00    -0.191 NA
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  28
ATOM     28  C   LIG    1        3.003   0.560   1.686  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        3.880  -0.612   1.701  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        3.646  -1.244   0.937  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        4.834  -0.295   1.514  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5