REMARK  Name = BDB012681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.753  -0.171  -0.580  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.164   0.512  -1.689  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.210   0.304  -1.564  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.141   0.827  -2.475  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.644   1.581  -3.541  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.279   1.797  -3.680  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.165   2.525  -4.713  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.344  -0.457  -0.430  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -0.643   1.276  -2.772  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.180  -0.757   0.171  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.094  -0.181  -0.381  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.664   0.323  -1.065  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -4.302  -0.642   0.618  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -2.895  -0.771   0.626  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.374  -1.514   1.686  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.107  -2.097   2.672  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.441  -1.943   2.617  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -5.081  -1.233   1.623  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -4.402   0.689  -1.387  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -4.969   0.129  -0.464  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -6.308   0.167  -0.348  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.606   0.699  -1.116  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        2.580  -0.952   0.160  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.038  -0.101   1.331  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        3.622   1.304   1.018  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.623   1.061   2.165  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        4.434  -0.449   1.911  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6