REMARK  Name = BDB045464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868  -1.558  -1.252  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.272  -0.442  -0.733  0.00  0.00    -0.282 N 
ATOM      3  H   LIG    1        0.800   0.080  -0.035  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.411  -2.298  -2.119  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.002   0.083  -1.036  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.390   1.240  -0.345  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -2.639   1.830  -0.586  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.514   1.246  -1.506  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.134   0.096  -2.195  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.881  -0.481  -1.963  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.082   3.058   0.127  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -4.265   3.362   0.213  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.115   3.869   0.654  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -1.147   3.808   0.373  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.436   4.757   1.018  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  17
ATOM     16  C   LIG    1        2.889  -1.590   0.387  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        2.234  -1.888  -0.745  0.00  0.00    +0.072 C 
BRANCH  16  21
ATOM     18  C   LIG    1        3.356  -2.326   3.188  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1        2.735  -1.095   2.756  0.00  0.00    -0.315 N 
ATOM     20  H   LIG    1        2.362  -0.475   3.466  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        2.412  -0.727   1.486  0.00  0.00    +0.237 C 
ATOM     22  O   LIG    1        1.766   0.293   1.269  0.00  0.00    -0.271 OA
ENDBRANCH  16  21
ENDBRANCH   1  17
TORSDOF 4