REMARK  Name = BDB002416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.227  -1.341  -1.417  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1        1.213  -1.036  -1.203  0.00  0.00    +0.187 A 
ATOM      3  N   LIG    1        1.909  -1.803  -2.110  0.00  0.00    -0.197 N 
ATOM      4  C   LIG    1        3.272  -1.856  -2.200  0.00  0.00    +0.274 A 
ATOM      5  C   LIG    1        3.926  -0.933  -1.247  0.00  0.00    +0.100 A 
ATOM      6  C   LIG    1        3.169  -0.209  -0.400  0.00  0.00    +0.079 A 
ATOM      7  O   LIG    1        3.927  -2.577  -2.944  0.00  0.00    -0.266 OA
ATOM      8  N   LIG    1        1.029  -2.523  -2.905  0.00  0.00    -0.274 N 
ATOM      9  H   LIG    1        1.239  -3.521  -2.950  0.00  0.00    +0.189 HD
ATOM     10  N   LIG    1        1.784  -0.247  -0.358  0.00  0.00    -0.226 NA
ATOM     11  C   LIG    1       -0.240  -2.276  -2.402  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        3.840   0.723   0.541  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.312   2.009   0.737  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.920   2.906   1.620  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.058   2.526   2.326  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.586   1.248   2.156  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.979   0.350   1.273  0.00  0.00    +0.010 A 
ENDBRANCH   6  12
BRANCH  11  18
ATOM     18  N   LIG    1       -1.337  -2.945  -2.885  0.00  0.00    -0.342 N 
ATOM     19  H   LIG    1       -1.281  -3.060  -3.894  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -2.201  -2.473  -2.612  0.00  0.00    +0.144 HD
ENDBRANCH  11  18
BRANCH   1  22
ATOM     21  N   LIG    1       -2.373  -0.847  -1.106  0.00  0.00    -0.149 NA
ATOM     22  N   LIG    1       -1.211  -0.792  -0.648  0.00  0.00    -0.142 NA
BRANCH  21  27
ATOM     23  C   LIG    1       -6.153   1.518   2.485  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -5.174   0.909   1.525  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1       -5.202  -0.465   1.260  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.268  -1.037   0.391  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -3.280  -0.251  -0.211  0.00  0.00    +0.086 A 
ATOM     28  C   LIG    1       -3.252   1.122   0.058  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -4.184   1.698   0.926  0.00  0.00    +0.005 A 
ENDBRANCH  21  27
ENDBRANCH   1  22
TORSDOF 4