REMARK  Name = BDB045625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.160  -0.781   1.856  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.978  -0.349   0.645  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        4.202  -0.985   0.506  0.00  0.00    -0.183 N 
ATOM      4  O   LIG    1        2.577   0.492  -0.159  0.00  0.00    -0.274 OA
BRANCH   3   5
ATOM      5  O   LIG    1        4.753  -1.561   1.673  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1        4.671  -2.514   1.475  0.00  0.00    +0.242 HD
ENDBRANCH   3   5
BRANCH   3   7
ATOM      7  C   LIG    1        5.237  -0.443  -0.369  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.856   0.840   0.174  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.929   1.325  -0.752  0.00  0.00    +0.306 C 
ATOM     10  O   LIG    1        7.355   0.766  -1.748  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        7.438   2.510  -0.360  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        8.117   2.720  -1.035  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        0.725  -0.252   1.841  0.00  0.00    +0.010 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.156  -0.994   0.829  0.00  0.00    +0.016 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.585  -0.433   0.826  0.00  0.00    +0.084 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.475  -1.175  -0.071  0.00  0.00    -0.303 NA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.143  -1.124  -1.499  0.00  0.00    +0.081 C 
ATOM     18  C   LIG    1       -1.736   0.226  -2.087  0.00  0.00    +0.020 C 
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -3.898  -0.987   0.233  0.00  0.00    +0.084 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.486   0.403  -0.033  0.00  0.00    +0.015 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.529   1.864   0.194  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -5.931   0.493   0.466  0.00  0.00    -0.002 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 14