REMARK  Name = BDB012676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.088  -0.075   0.111  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.935  -1.225   0.072  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -2.228  -0.740   0.268  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -3.354  -1.577   0.304  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.142  -2.948   0.131  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.861  -3.446  -0.068  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -1.691  -4.765  -0.230  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1       -2.076   0.619   0.390  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -0.746  -2.611  -0.102  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -0.800   1.033   0.324  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.255  -0.170  -0.044  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        1.645  -1.102  -0.199  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        3.638   0.450  -0.214  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1        2.282   0.801  -0.045  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        2.041   2.167   0.124  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.991   3.140   0.138  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        4.266   2.752  -0.027  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.636   1.436  -0.204  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1        5.295  -1.267  -0.543  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        4.129  -0.941  -0.409  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.161  -1.880  -0.435  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        3.673  -2.708  -0.574  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1       -3.107   1.594   0.667  0.00  0.00    +0.257 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.847   1.996  -0.578  0.00  0.00    +0.409 C 
ATOM     25  F   LIG    1       -3.044   2.519  -1.526  0.00  0.00    -0.169 F 
ATOM     26  F   LIG    1       -4.519   0.957  -1.123  0.00  0.00    -0.169 F 
ATOM     27  F   LIG    1       -4.774   2.940  -0.275  0.00  0.00    -0.169 F 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6