REMARK  Name = BDB054432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255  -0.318   0.623  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.030  -0.032   0.339  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1        1.894  -0.378   1.315  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1        1.561  -0.972   2.518  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1        2.675  -1.184   3.268  0.00  0.00    -0.126 NA
ATOM      6  N   LIG    1        3.716  -0.740   2.577  0.00  0.00    -0.058 NA
ATOM      7  C   LIG    1        0.219  -1.230   2.728  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1        3.276  -0.242   1.381  0.00  0.00    -0.194 N 
ATOM      9  N   LIG    1       -0.677  -0.895   1.767  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.193   0.302   0.440  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        3.765   0.817  -0.791  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.694   1.345  -1.693  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        6.051   1.362  -1.377  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.486   0.852  -0.157  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.564   0.324   0.750  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.153   0.037  -0.381  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -0.643   0.451  -1.147  0.00  0.00    +0.155 HD
BRANCH  16  21
ATOM     18  C   LIG    1       -5.338  -0.197  -0.967  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -4.781  -0.677   0.221  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1       -3.397  -0.607   0.431  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -2.540  -0.061  -0.531  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.119   0.417  -1.720  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -4.500   0.352  -1.939  0.00  0.00    +0.017 A 
BRANCH  18  25
ATOM     24  O   LIG    1       -7.346   0.151  -2.245  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -6.794  -0.248  -1.236  0.00  0.00    +0.337 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -7.494  -0.796  -0.228  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -8.422  -0.764  -0.540  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 5