REMARK  Name = BDB016147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.444   0.181  -1.545  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        2.551  -0.036  -0.655  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        2.244  -0.268   0.692  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.328   0.104   0.940  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        3.193  -0.135   1.781  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        4.292  -1.162   1.662  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        5.359  -0.776   0.694  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        5.062  -0.347  -0.554  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        5.910  -0.228  -1.095  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        6.550  -0.902   0.998  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        3.644   1.309   1.988  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.848  -0.079  -1.219  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        4.021   0.185  -2.595  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.944   0.437  -3.436  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.662   0.424  -2.914  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     16  N   LIG    1       -3.900   0.448   0.240  0.00  0.00    -0.344 N 
ATOM     17  C   LIG    1       -2.611   0.159  -0.176  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -1.998   1.379  -0.477  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -0.663   1.384  -0.931  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        0.043   0.177  -1.077  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -0.602  -1.026  -0.768  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.946   2.405  -0.230  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -1.927  -1.059  -0.316  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -4.104   1.808   0.209  0.00  0.00    +0.087 A 
BRANCH  16  26
ATOM     25  C   LIG    1       -5.311  -0.338   2.117  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -4.908  -0.529   0.654  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -6.126  -0.509  -0.270  0.00  0.00    +0.030 C 
ENDBRANCH  16  26
ENDBRANCH   1  20
TORSDOF 2