REMARK  Name = BDB051450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.157  -0.656   0.255  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -1.798  -1.819   0.616  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -1.347  -2.665   0.928  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.151  -1.648   0.471  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.288  -0.351  -0.016  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.582   0.136  -0.279  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.688  -0.703  -0.039  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.509  -1.998   0.449  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.231  -2.501   0.714  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.049   0.241  -0.122  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.099   0.015   0.265  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.215   0.929  -0.321  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        0.834   0.695  -0.314  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.297  -0.458   0.275  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.181  -1.371   0.865  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.564  -1.137   0.859  0.00  0.00    +0.014 A 
BRANCH  11  20
ATOM     17  C   LIG    1        7.627   1.845  -0.347  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1        6.493   0.983   0.031  0.00  0.00    +0.169 A 
ATOM     19  N   LIG    1        5.193   1.303  -0.262  0.00  0.00    -0.192 NA
ATOM     20  C   LIG    1        4.532   0.284   0.244  0.00  0.00    +0.258 A 
ATOM     21  O   LIG    1        5.351  -0.643   0.831  0.00  0.00    -0.333 OA
ATOM     22  N   LIG    1        6.659  -0.173   0.686  0.00  0.00    -0.061 NA
ENDBRANCH  11  20
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1       -4.778   1.496  -0.816  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -4.102   1.962  -1.720  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1       -5.790   2.223  -0.245  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -5.823   3.199  -0.514  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -6.163   1.975   0.660  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 3