REMARK  Name = BDB060789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.213   2.664   1.230  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        3.650   1.841   0.107  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1        2.634   0.907   0.363  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        2.098   0.192  -0.700  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.007  -0.852  -0.725  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.434  -0.464  -0.315  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1       -0.864  -1.593   0.660  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        0.095  -2.758   0.354  0.00  0.00    +0.168 C 
ATOM      9  C   LIG    1        0.993  -1.228  -2.258  0.00  0.00    +0.243 C 
ATOM     10  N   LIG    1        1.946  -0.442  -2.889  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1        2.123  -0.492  -3.881  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        0.276  -2.052  -2.807  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        1.385  -2.059   0.053  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1        1.810  -1.768   0.937  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        2.589   0.392  -1.991  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        3.579   1.306  -2.278  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.104   2.043  -1.214  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   6  18
ATOM     18  C   LIG    1       -0.590   0.914   0.259  0.00  0.00    +0.174 A 
ATOM     19  C   LIG    1       -0.819   2.172  -0.264  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -0.833   3.035   0.861  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -1.031   4.504   0.923  0.00  0.00    +0.071 C 
ATOM     22  N   LIG    1       -0.617   2.348   1.989  0.00  0.00    -0.081 NA
ATOM     23  O   LIG    1       -0.464   1.033   1.612  0.00  0.00    -0.357 OA
BRANCH  19  24
ATOM     24  N   LIG    1       -0.981   2.513  -1.641  0.00  0.00    +0.062 N 
ATOM     25  O   LIG    1       -1.321   3.673  -1.898  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1       -0.760   1.627  -2.473  0.00  0.00    -0.126 OA
ENDBRANCH  19  24
ENDBRANCH   6  18
BRANCH   7  27
ATOM     27  C   LIG    1       -2.341  -1.918   0.539  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -2.881  -2.502  -0.617  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.247  -2.777  -0.702  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.091  -2.468   0.362  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.570  -1.882   1.512  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.205  -1.605   1.600  0.00  0.00    +0.004 A 
ENDBRANCH   7  27
BRANCH   8  33
ATOM     33  C   LIG    1        0.150  -3.770   1.520  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1       -1.052  -4.324   1.775  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        0.574  -3.163   2.656  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        1.014  -4.777   1.256  0.00  0.00    -0.169 F 
ENDBRANCH   8  33
TORSDOF 4