REMARK  Name = BDB045627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.237   0.381   1.173  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.581  -0.253   0.836  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        3.552   0.633   0.377  0.00  0.00    -0.183 N 
ATOM      4  O   LIG    1        2.779  -1.464   0.920  0.00  0.00    -0.274 OA
BRANCH   3   5
ATOM      5  O   LIG    1        3.373   1.979   0.777  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1        3.194   2.414  -0.077  0.00  0.00    +0.242 HD
ENDBRANCH   3   5
BRANCH   3   7
ATOM      7  C   LIG    1        4.964   0.253   0.422  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.339  -0.675  -0.727  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.807  -0.999  -0.682  0.00  0.00    +0.308 C 
ATOM     10  O   LIG    1        7.615  -0.517   0.099  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        7.107  -1.899  -1.662  0.00  0.00    -0.468 OA
ATOM     12  C   LIG    1        8.483  -2.280  -1.702  0.00  0.00    +0.280 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        0.176  -0.664   1.523  0.00  0.00    +0.010 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.153  -0.052   1.982  0.00  0.00    +0.016 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.859   0.754   0.879  0.00  0.00    +0.084 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.237   1.140   1.236  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -3.261   2.065   2.374  0.00  0.00    +0.104 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -3.945   1.753   0.095  0.00  0.00    +0.084 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.263   0.794  -1.065  0.00  0.00    +0.015 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.087  -0.422  -0.628  0.00  0.00    +0.001 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.296  -0.811  -2.844  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -5.386  -1.393  -1.773  0.00  0.00    -0.003 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 14