REMARK  Name = BDB016981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.228  -1.391   0.258  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.105  -0.577   0.915  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.238  -0.559   0.129  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        2.058  -1.353  -0.988  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.844  -1.844  -0.873  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.459   0.182   0.410  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.456   1.003   1.492  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.587   1.688   1.761  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.728   1.613   0.987  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.701   0.784  -0.133  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.561   0.039  -0.422  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.920   0.696  -0.966  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        8.042   0.783  -0.498  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.672   0.566  -2.285  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.737   0.657  -2.550  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.107  -1.743   0.703  0.00  0.00    +0.126 C 
BRANCH  16  21
ATOM     17  C   LIG    1       -5.841   1.162  -0.790  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -4.752   0.217  -0.537  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -4.548   0.045   0.906  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1       -3.461  -0.995   1.179  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -2.138  -0.624   0.492  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -2.392  -0.344  -0.997  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -3.520   0.670  -1.194  0.00  0.00    +0.084 C 
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 5