REMARK  Name = BDB013827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.732   0.635  -0.376  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -1.798  -0.211   0.254  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -2.357  -1.245   1.012  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1       -3.682  -1.513   1.131  0.00  0.00    -0.261 NA
ATOM      5  C   LIG    1       -4.528  -0.686   0.493  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -4.109   0.393  -0.257  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.122   2.708  -1.535  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -2.364   1.813  -1.204  0.00  0.00    +0.339 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -1.089   1.802  -1.638  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -1.027   2.619  -2.179  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1       -0.418   0.064   0.249  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1       -0.193   0.661  -0.557  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        0.521  -1.052   0.357  0.00  0.00    +0.139 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.935  -0.556   0.183  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.818  -1.227  -0.667  0.00  0.00    +0.128 A 
ATOM     16  F   LIG    1        2.403  -2.303  -1.351  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.137  -0.806  -0.823  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        4.597   0.301  -0.114  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        3.737   0.977   0.751  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.416   0.549   0.903  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 5