REMARK  Name = BDB047770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.770  -0.897   0.191  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.778   0.082   0.919  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -4.771   1.043   0.691  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -4.779   1.944  -0.357  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -5.966   2.700  -0.161  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -6.632   2.279   0.929  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -3.722   1.916  -1.278  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.707   0.962  -1.101  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -5.879   1.245   1.456  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.736   0.051  -0.036  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -6.463   3.814  -1.011  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -5.558   4.829  -1.089  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -7.625   4.366  -0.573  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -6.685   3.408  -2.291  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -3.839  -0.878   2.079  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.562  -3.163   2.858  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.493  -2.203   1.681  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -0.908  -1.278  -0.881  0.00  0.00    +0.231 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.411  -0.521  -0.791  0.00  0.00    +0.064 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.371  -0.969  -1.885  0.00  0.00    +0.147 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.585  -0.174  -1.895  0.00  0.00    -0.264 N 
ATOM     22  C   LIG    1        3.745  -0.421  -1.201  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        4.598   0.625  -1.539  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.890   0.673  -0.984  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.299  -0.342  -0.100  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1        5.412  -1.376   0.228  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.848   1.425  -2.428  0.00  0.00    +0.143 A 
ATOM     28  C   LIG    1        4.123  -1.438  -0.315  0.00  0.00    +0.028 A 
ATOM     29  N   LIG    1        2.623   0.942  -2.652  0.00  0.00    -0.178 NA
BRANCH  25  30
ATOM     30  C   LIG    1        7.679  -0.298   0.515  0.00  0.00    +0.155 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.734   0.406   1.849  0.00  0.00    +0.309 C 
ATOM     32  O   LIG    1        6.817   0.889   2.490  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        8.995   0.463   2.332  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1        8.894   0.934   3.186  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11