REMARK  Name = BDB057041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.576   1.968  -1.774  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.229   1.150  -0.929  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.179   1.396  -0.018  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -1.822  -0.080  -0.724  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -1.671  -0.455   0.201  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.853   0.348   0.171  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.966   0.429  -0.880  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.927  -0.760  -0.746  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        3.063  -1.268   0.632  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1        2.885  -0.201   1.619  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        1.442   0.316   1.592  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.335  -1.984   0.844  0.00  0.00    +0.093 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.440  -3.256   0.004  0.00  0.00    +0.128 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.717  -3.993   0.327  0.00  0.00    +0.391 C 
ATOM     15  F   LIG    1        5.821  -5.115  -0.418  0.00  0.00    -0.171 F 
ATOM     16  F   LIG    1        5.765  -4.358   1.626  0.00  0.00    -0.171 F 
ATOM     17  F   LIG    1        6.801  -3.230   0.070  0.00  0.00    -0.171 F 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   4  18
ATOM     18  C   LIG    1       -2.808  -0.704  -1.511  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -3.421  -1.848  -0.985  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -4.410  -2.540  -1.707  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -4.766  -2.079  -2.981  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.153  -0.946  -3.513  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.178  -0.263  -2.782  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -5.046  -3.780  -1.132  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -4.342  -4.906  -1.430  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -5.141  -3.749   0.227  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -6.311  -3.997  -1.587  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
ENDBRANCH   4  18
BRANCH   3  28
ATOM     28  C   LIG    1        0.253   2.796   0.062  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.711   3.649   0.860  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -0.712   3.612   2.262  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.606   4.397   2.993  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.513   5.223   2.332  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.528   5.262   0.940  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.634   4.479   0.208  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 8