REMARK  Name = BDB014231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.614   0.722   0.768  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.474   0.029   0.352  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.576  -1.091  -0.463  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.268  -1.575  -0.695  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        0.615  -0.740  -0.034  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -2.759  -1.571  -0.913  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.844  -0.864  -0.538  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.135   0.232   0.592  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.243   0.997   1.143  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -3.836   0.260   0.275  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -1.469   2.597   1.653  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -2.475   1.908   1.639  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -3.536   2.129   2.440  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -4.171   1.393   2.503  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        2.102  -0.761   0.052  0.00  0.00    +0.164 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.784   0.366  -0.664  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        3.047   0.290  -2.149  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1        4.194   0.206  -1.180  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
BRANCH  15  19
ATOM     19  O   LIG    1        2.415  -0.658   1.435  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        2.070  -1.467   1.849  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   5  15
TORSDOF 5