REMARK  Name = BDB019530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.993   0.835  -1.148  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.766   0.314  -0.755  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -3.267  -0.200   0.535  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.974  -0.669   0.338  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.483  -0.355  -0.989  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -3.880  -0.195   1.587  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.690   0.218  -1.655  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -2.800   0.640  -2.970  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.017   1.167  -3.387  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.095   1.263  -2.490  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.092  -1.048   1.448  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1       -0.325   0.162   2.010  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        1.195   0.005   1.924  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        1.549  -0.477   0.592  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1        1.107  -1.859   0.375  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.175  -2.232   1.128  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        2.942  -0.252   0.168  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        3.219   1.238  -0.095  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        4.568   1.450  -0.791  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        5.600   0.367  -0.473  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1        5.403  -0.208   0.922  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1        4.021  -0.848   1.100  0.00  0.00    +0.019 C 
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  26
ATOM     23  N   LIG    1       -6.282   0.458   0.928  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -7.098   0.669   1.486  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.465   0.106   1.426  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -6.224   0.991  -0.321  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -7.202   1.589  -0.762  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3