REMARK  Name = BDB034458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.133  -1.921   0.725  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.155  -0.895   0.544  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1       -1.996  -0.082   1.135  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1       -3.524  -1.236   0.543  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -4.512  -0.208   0.486  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -5.872  -0.596   0.472  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -6.858   0.380   0.439  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -6.560   1.750   0.398  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -5.221   2.141   0.399  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -6.267  -1.875   0.479  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1       -5.315  -2.825   0.472  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1       -4.213   1.176   0.436  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -3.958  -2.561   0.490  0.00  0.00    +0.043 A 
BRANCH   8  14
ATOM     14  C   LIG    1       -7.670   2.769   0.382  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -8.145   3.034   1.630  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.747   2.375  -0.353  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -7.288   3.970  -0.134  0.00  0.00    -0.166 F 
ENDBRANCH   8  14
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.264  -1.293   0.702  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.624  -0.737  -0.680  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.953  -0.126  -0.723  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1        2.101   0.471   0.089  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.033  -1.104  -0.814  0.00  0.00    +0.116 C 
BRANCH  22  26
ATOM     23  C   LIG    1        6.875   0.895  -0.936  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1        6.499   0.164   0.191  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        5.257  -0.483   0.231  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        4.376  -0.412  -0.855  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        4.757   0.328  -1.981  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        5.996   0.972  -2.019  0.00  0.00    +0.046 A 
BRANCH  23  29
ATOM     29  O   LIG    1        8.048   1.572  -1.111  0.00  0.00    -0.406 OA
BRANCH  29  31
ATOM     30  F   LIG    1        8.485   2.090   1.070  0.00  0.00    -0.133 F 
ATOM     31  C   LIG    1        8.992   1.542  -0.056  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1        9.399   0.281   0.201  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1       10.074   2.265  -0.421  0.00  0.00    -0.133 F 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10