REMARK  Name = BDB001843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.097  -1.035   0.375  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.367   0.157   0.944  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.724   0.327   1.225  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.641  -0.693   0.944  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.176  -1.887   0.378  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.818  -2.058   0.100  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.569  -1.225   0.092  0.00  0.00    +0.036 C 
BRANCH   7   8
ATOM      8  C   LIG    1        2.303  -1.782   1.313  0.00  0.00    +0.023 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.775  -2.108   1.044  0.00  0.00    +0.106 C 
BRANCH   9  11
ATOM     10  C   LIG    1        4.879  -0.090   2.026  0.00  0.00    +0.130 C 
ATOM     11  N   LIG    1        4.595  -0.908   0.860  0.00  0.00    -0.318 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.863  -0.466  -0.425  0.00  0.00    +0.121 A 
ATOM     13  N   LIG    1        4.429  -1.213  -1.466  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        4.681  -0.801  -2.729  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        5.367   0.355  -3.039  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.820   1.128  -1.986  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        5.568   0.714  -0.675  0.00  0.00    +0.043 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -4.116  -0.501   1.215  0.00  0.00    +0.071 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.876   0.058  -0.002  0.00  0.00    +0.199 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.547   1.462  -0.260  0.00  0.00    -0.339 N 
ATOM     21  C   LIG    1       -3.883   1.919  -1.370  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1       -3.813   3.292  -1.290  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -4.460   3.679  -0.093  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -4.903   2.530   0.524  0.00  0.00    +0.086 A 
ENDBRANCH  19  20
BRANCH  19  25
ATOM     25  C   LIG    1       -6.380  -0.152   0.144  0.00  0.00    +0.328 C 
ATOM     26  O   LIG    1       -6.889  -0.943   0.928  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -7.150   0.552  -0.724  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1       -6.667   1.188  -1.290  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10