REMARK  Name = BDB045990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.162   0.029  -0.599  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -2.189   0.434   0.241  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.128   1.315   1.079  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -3.367  -0.408  -0.044  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.948  -1.354  -0.998  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -3.805  -2.328  -1.483  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -5.109  -2.352  -0.998  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.529  -1.408  -0.045  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.664  -0.409   0.454  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -1.514  -1.151  -1.361  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.107   0.154  -0.549  0.00  0.00    -0.300 NA
ATOM     12  C   LIG    1        2.412   0.211   0.744  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1        0.975  -0.292   0.611  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        0.215   0.504  -0.454  0.00  0.00    +0.079 C 
ATOM     15  C   LIG    1        0.993   0.505  -1.771  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        2.427   0.987  -1.552  0.00  0.00    +0.086 C 
BRANCH  11  18
ATOM     17  C   LIG    1        4.926   1.774   0.199  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        4.555   0.450  -0.480  0.00  0.00    +0.050 C 
ATOM     19  C   LIG    1        5.311  -0.710   0.182  0.00  0.00    +0.024 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  C   LIG    1       -5.257   0.525   1.453  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1       -6.383   0.327   1.903  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -4.562   1.618   1.867  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -3.571   1.760   1.674  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -4.965   2.171   2.609  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 3