REMARK  Name = BDB018381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.767  -0.041   0.396  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        0.329  -0.693  -0.130  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.454   0.013   0.239  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.109   1.137   0.925  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.218   1.082   1.035  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.239   0.511   0.083  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -2.141  -0.452   0.280  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.469  -1.759   0.359  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -3.772  -2.217   0.276  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.012  -3.648   0.385  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.847  -1.356   0.116  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -6.025  -1.697   0.053  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.511   0.084   0.011  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.827   1.821  -0.035  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -4.367   3.351   1.049  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.774   2.864  -0.262  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        2.835  -0.264  -0.016  0.00  0.00    +0.086 A 
ATOM     18  C   LIG    1        3.330  -1.516  -0.419  0.00  0.00    +0.077 A 
ATOM     19  C   LIG    1        4.708  -1.659  -0.675  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        5.593  -0.588  -0.520  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        5.117   0.646  -0.094  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        3.750   0.798   0.160  0.00  0.00    +0.074 A 
BRANCH  18  23
ATOM     23  C   LIG    1        2.546  -2.712  -0.520  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1        1.930  -3.693  -0.604  0.00  0.00    -0.191 NA
ENDBRANCH  18  23
BRANCH  21  25
ATOM     25  O   LIG    1        5.866   1.770   0.108  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        7.266   1.667  -0.117  0.00  0.00    +0.277 C 
ENDBRANCH  21  25
ENDBRANCH   3  17
TORSDOF 6