REMARK  Name = BDB001613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189  -0.802   0.127  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -1.165   0.146   0.433  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -2.489  -0.081   0.031  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.813  -1.261  -0.658  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.821  -2.209  -0.935  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.505  -1.985  -0.537  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.479   0.885   0.328  0.00  0.00    -0.200 N 
ATOM      8  N   LIG    1       -3.208   2.026   1.003  0.00  0.00    -0.039 NA
ATOM      9  N   LIG    1       -4.358   2.677   1.102  0.00  0.00    -0.023 NA
ATOM     10  N   LIG    1       -5.372   1.978   0.503  0.00  0.00    -0.116 NA
ATOM     11  C   LIG    1       -4.820   0.884   0.032  0.00  0.00    +0.250 A 
ENDBRANCH   3   7
BRANCH   1  12
ATOM     12  O   LIG    1        1.121  -0.591   0.558  0.00  0.00    -0.420 OA
BRANCH  12  14
ATOM     13  O   LIG    1        1.543   0.427  -1.497  0.00  0.00    -0.241 OA
ATOM     14  C   LIG    1        1.911   0.064  -0.384  0.00  0.00    +0.380 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.243   0.253   0.144  0.00  0.00    +0.212 A 
ATOM     16  O   LIG    1        3.562  -0.203   1.397  0.00  0.00    -0.456 OA
ATOM     17  C   LIG    1        4.863   0.112   1.624  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1        5.397   0.764   0.538  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        4.356   0.855  -0.416  0.00  0.00    +0.056 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 4