REMARK  Name = BDB060443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.335  -0.822   0.787  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.051  -0.278  -0.017  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.668  -1.258   1.634  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.553  -2.040   2.570  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -3.388   2.975  -2.112  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -3.608   1.709  -1.460  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -3.599   1.719  -0.449  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.521   0.821  -1.980  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.771  -0.315  -1.201  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.919  -0.861  -0.184  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.461  -1.706   0.801  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -3.649  -2.192   1.834  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.285  -1.899   1.866  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.711  -1.133   0.856  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.916  -2.082   0.766  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.337  -2.227  -0.684  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.534  -0.626  -0.162  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.086  -0.921  -1.419  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -5.136   1.070  -3.017  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.026  -0.728   1.322  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.221   0.573   0.845  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        3.515   1.026   0.564  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.634   0.199   0.762  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.426  -1.096   1.258  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        3.133  -1.554   1.541  0.00  0.00    +0.014 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.984   0.694   0.460  0.00  0.00    +0.093 A 
ATOM     27  N   LIG    1        6.178   1.882  -0.139  0.00  0.00    -0.171 NA
ATOM     28  N   LIG    1        7.511   1.996  -0.253  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.070   3.178  -0.864  0.00  0.00    +0.172 C 
ATOM     30  C   LIG    1        8.194   0.933   0.247  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1        7.236   0.067   0.719  0.00  0.00    +0.049 A 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3