REMARK  Name = BDB018269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.991   0.505  -0.647  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1        0.382   0.473  -0.512  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        0.848  -0.328  -1.518  0.00  0.00    -0.266 N 
ATOM      4  N   LIG    1       -0.127  -0.790  -2.328  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.243  -0.293  -1.785  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.244   0.675   0.540  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.917   1.216   0.194  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.593   2.426   0.698  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -2.447   3.165   1.499  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.997   4.461   1.981  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.714   2.716   1.838  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -4.522   3.330   2.529  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.089   1.383   1.310  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -3.498  -0.582   0.032  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -4.752  -2.577  -0.313  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -4.736  -1.214   0.353  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        2.241  -0.663  -1.792  0.00  0.00    +0.179 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.774  -1.654  -0.785  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1        3.628  -1.285   0.271  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1        4.036  -2.223   1.230  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.617  -3.548   1.129  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.784  -3.934   0.081  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.362  -2.996  -0.864  0.00  0.00    +0.006 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.112   0.096   0.444  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        3.808   0.817   1.377  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.952   0.382  -0.580  0.00  0.00    -0.464 OA
ATOM     27  C   LIG    1        5.530   1.686  -0.501  0.00  0.00    +0.280 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7