REMARK  Name = BDB013828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.705   0.477  -0.536  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -1.795  -0.254   0.253  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -2.379  -1.200   1.102  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1       -3.702  -1.491   1.173  0.00  0.00    -0.261 NA
ATOM      5  C   LIG    1       -4.523  -0.777   0.384  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -4.081   0.210  -0.472  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.062   2.377  -1.969  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -2.309   1.550  -1.485  0.00  0.00    +0.339 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -1.011   1.513  -1.843  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -0.928   2.261  -2.474  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1       -0.425   0.057   0.296  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1       -0.156   0.565  -0.555  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        0.527  -0.998   0.619  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.927  -0.489   0.372  0.00  0.00    -0.028 A 
ATOM     15  C   LIG    1        2.647  -0.893  -0.761  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1        3.929  -0.401  -0.980  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        4.608  -0.796  -2.065  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        4.516   0.496  -0.096  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        3.807   0.914   1.028  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        2.518   0.426   1.259  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 5