REMARK  Name = BDB000950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072   0.206   0.142  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        1.249   0.571   0.746  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        1.368   1.220   1.515  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.280  -0.080   0.113  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.657  -0.822  -0.879  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.437  -1.610  -1.736  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.828  -1.615  -1.567  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.432  -0.858  -0.556  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.665  -0.075   0.324  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.297  -0.640  -0.845  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.467  -0.929   1.652  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1       -3.588   0.057   1.030  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1       -2.199  -0.415   0.978  0.00  0.00    +0.095 C 
ATOM     14  C   LIG    1       -1.256   0.746   0.587  0.00  0.00    +0.069 C 
ATOM     15  C   LIG    1       -1.871   1.659  -0.493  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -2.981   0.943  -1.255  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -4.076   0.423  -0.311  0.00  0.00    +0.084 C 
ENDBRANCH   1  14
BRANCH   9  18
ATOM     18  C   LIG    1        4.229   0.748   1.423  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        3.533   1.556   2.031  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        5.537   0.556   1.768  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        5.860   1.055   2.587  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        6.075  -0.244   1.472  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2