REMARK  Name = BDB001844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.582   1.174  -0.972  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.464   1.045  -1.893  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.792   1.166  -1.478  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.097   1.418  -0.133  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -1.052   1.545   0.787  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.276   1.425   0.371  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.019   1.027  -1.410  0.00  0.00    +0.036 C 
BRANCH   7   8
ATOM      8  C   LIG    1        2.448  -0.428  -1.629  0.00  0.00    +0.023 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.445  -1.287  -0.358  0.00  0.00    +0.105 C 
BRANCH   9  11
ATOM     10  C   LIG    1        2.977  -1.179   2.050  0.00  0.00    +0.129 C 
ATOM     11  N   LIG    1        3.324  -0.743   0.691  0.00  0.00    -0.333 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.715  -0.737   0.487  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        5.492   0.228   1.150  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        6.880   0.289   0.992  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        7.523  -0.622   0.162  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.777  -1.587  -0.507  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        5.388  -1.641  -0.346  0.00  0.00    +0.023 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -3.538   1.521   0.315  0.00  0.00    +0.071 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.154   0.144   0.617  0.00  0.00    +0.199 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.574   0.128   0.252  0.00  0.00    -0.339 N 
ATOM     21  C   LIG    1       -6.112  -0.621  -0.764  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1       -7.473  -0.408  -0.774  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -7.765   0.502   0.269  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -6.575   0.820   0.885  0.00  0.00    +0.086 A 
ENDBRANCH  19  20
BRANCH  19  25
ATOM     25  C   LIG    1       -3.951  -0.291   2.067  0.00  0.00    +0.328 C 
ATOM     26  O   LIG    1       -3.202   0.257   2.863  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -4.644  -1.403   2.425  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1       -5.264  -1.742   1.748  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10