REMARK  Name = BDB018447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.505  -0.759   0.467  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1       -0.188  -0.354   0.473  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        0.482  -1.108  -0.473  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1       -0.358  -1.986  -1.073  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -1.548  -1.764  -0.514  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.912   0.016   0.775  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -2.562  -0.256   1.300  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.346  -0.021   2.611  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -3.328   0.450   3.464  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.991   0.659   4.864  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.619   0.712   3.030  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -5.534   1.123   3.738  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.879   0.469   1.591  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -4.047  -0.216  -0.577  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -5.399   1.504  -1.631  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -5.285   0.042  -1.239  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        1.843  -0.982  -0.874  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        2.489  -1.965  -1.645  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1        3.798  -1.756  -2.108  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.485  -0.585  -1.784  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.863   0.385  -1.002  0.00  0.00    +0.123 A 
ATOM     22  C   LIG    1        2.557   0.184  -0.540  0.00  0.00    +0.074 A 
BRANCH  18  23
ATOM     23  C   LIG    1        1.919  -3.288  -1.952  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        1.779  -3.773  -3.058  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        1.712  -3.980  -0.817  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        1.277  -4.800  -1.127  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
BRANCH  21  27
ATOM     27  O   LIG    1        4.453   1.561  -0.609  0.00  0.00    -0.489 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.531   2.038  -1.435  0.00  0.00    +0.174 C 
ATOM     29  C   LIG    1        6.329   3.164  -0.833  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1        6.926   1.792  -0.927  0.00  0.00    +0.048 C 
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH   3  17
TORSDOF 8