REMARK  Name = BDB017052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.587  -0.883   1.056  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -0.517  -0.128   0.582  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        0.590  -0.710   1.169  0.00  0.00    -0.329 N 
ATOM      4  C   LIG    1        0.167  -1.749   1.946  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -1.135  -1.884   1.900  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.447   1.007  -0.330  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.472   0.800  -1.716  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.383   1.884  -2.590  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -0.274   3.171  -2.075  0.00  0.00    +0.123 A 
ATOM     10  F   LIG    1       -0.186   4.211  -2.915  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.255   3.395  -0.703  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -0.344   2.312   0.172  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   1  15
ATOM     13  C   LIG    1       -5.293  -1.374   1.000  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -3.946  -1.570   1.303  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1       -3.008  -0.705   0.754  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1       -3.362   0.319  -0.063  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1       -4.672   0.486  -0.338  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -5.670  -0.326   0.163  0.00  0.00    +0.035 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -6.047  -3.237   2.324  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -6.287  -2.299   1.588  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -7.548  -2.005   1.224  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -8.085  -2.687   1.681  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  C   LIG    1        1.978  -0.316   1.011  0.00  0.00    +0.128 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.627  -0.975  -0.205  0.00  0.00    +0.058 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.034  -0.471  -0.426  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1        5.149  -1.004   0.241  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1        4.998  -2.302   1.371  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        6.427  -0.487   0.013  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.608   0.571  -0.877  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.511   1.114  -1.539  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.233   0.600  -1.315  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7