REMARK  Name = BDB028221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.100   0.675  -0.536  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.207  -0.511  -0.564  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.812  -1.762  -0.552  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.037  -2.925  -0.585  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.644  -2.830  -0.621  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.004  -1.579  -0.620  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -5.280  -1.851  -0.491  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -5.854  -2.934  -0.484  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.956  -0.657  -0.437  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.970  -0.698  -0.392  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.807  -0.422  -0.591  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.397   0.584  -0.465  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.463  -1.477  -0.641  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.161  -0.683   0.280  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.551  -0.599   0.223  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        3.220  -1.346  -0.736  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        2.592  -2.124  -1.647  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.239  -2.166  -1.578  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.184   0.162   1.173  0.00  0.00    -0.453 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.164   1.018   0.740  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1        4.029   1.865  -0.354  0.00  0.00    +0.156 A 
ATOM     22  N   LIG    1        4.989   2.733  -0.756  0.00  0.00    -0.260 NA
ATOM     23  C   LIG    1        6.122   2.765  -0.021  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.338   1.976   1.099  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.335   1.093   1.488  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  C   LIG    1       -3.504   2.079  -0.585  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.958   2.418   0.731  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -2.665   3.395   0.722  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -3.720   2.374   1.412  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5