REMARK  Name = BDB016985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.164  -1.603  -0.444  0.00  0.00    -0.334 N 
ATOM      2  C   LIG    1        0.951  -0.818  -0.551  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.945  -1.500   0.126  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.439  -2.687   0.623  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.176  -2.717   0.265  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.329  -1.064   0.304  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.208  -2.010   0.721  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.495  -1.653   0.901  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.972  -0.377   0.682  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.062   0.588   0.254  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.722   0.246   0.061  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.470   1.986  -0.008  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        4.740   2.879  -0.396  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.776   2.200   0.226  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.901   3.150   0.017  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.469  -1.328  -1.018  0.00  0.00    +0.155 C 
BRANCH  16  20
ATOM     17  C   LIG    1       -5.910   0.677  -0.289  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1       -4.667   0.289   0.371  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1       -3.804  -0.486  -0.545  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -2.319  -0.414  -0.127  0.00  0.00    +0.152 C 
ATOM     21  O   LIG    1       -1.818   0.935  -0.252  0.00  0.00    -0.372 OA
ATOM     22  C   LIG    1       -2.800   1.942   0.030  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -3.946   1.452   0.926  0.00  0.00    +0.112 C 
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5