REMARK  Name = BDB048665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.864  -2.814   0.122  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.181  -2.077   1.106  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.882  -1.123   1.865  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.250  -0.907   1.672  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        2.920  -1.659   0.704  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.233  -2.603  -0.066  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.101  -3.690  -0.606  0.00  0.00    -0.492 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -0.260  -5.434  -2.185  0.00  0.00    +0.048 C 
ATOM      9  C   LIG    1        0.773  -4.519  -1.553  0.00  0.00    +0.225 C 
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  10
ATOM     10  C   LIG    1       -1.303  -2.238   1.330  0.00  0.00    +0.143 C 
BRANCH  10  11
ATOM     11  N   LIG    1       -2.051  -1.387   0.430  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -1.960  -1.612  -0.550  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -2.408  -0.106   0.790  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -2.253   0.358   1.914  0.00  0.00    -0.270 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.976   0.744  -0.292  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -3.688   0.200  -1.368  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -4.205   1.038  -2.361  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -4.020   2.429  -2.293  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -3.325   2.968  -1.200  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -2.808   2.131  -0.206  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.601   3.328  -3.358  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -4.528   2.784  -4.605  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -3.978   4.536  -3.444  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -5.918   3.599  -3.145  0.00  0.00    -0.166 F 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH  10  11
ENDBRANCH   2  10
BRANCH   4  25
ATOM     25  C   LIG    1        2.977   0.149   2.472  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.700   1.577   1.969  0.00  0.00    +0.102 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.324   1.757   0.603  0.00  0.00    +0.308 C 
ATOM     28  O   LIG    1        4.462   1.464   0.274  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        2.485   2.333  -0.281  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1        3.008   2.384  -1.107  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  C   LIG    1        3.280   2.613   2.944  0.00  0.00    +0.011 C 
ATOM     32  C   LIG    1        2.868   4.040   2.607  0.00  0.00    +0.004 C 
ENDBRANCH  26  31
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 11