REMARK  Name = BDB047773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.506  -0.842   0.665  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.175   0.797   0.852  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -4.458   1.123   1.308  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -5.293   0.270   2.007  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -6.462   1.043   2.244  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -6.338   2.278   1.729  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -4.848  -1.028   2.292  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.574  -1.409   1.844  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -5.086   2.320   1.140  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.757  -0.524   1.129  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -7.688   0.603   2.962  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -8.162  -0.575   2.470  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -7.446   0.389   4.285  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -8.716   1.489   2.894  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -2.316   1.768   0.084  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.580   2.547  -2.199  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -2.436   1.555  -1.427  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -1.148  -2.223   0.603  0.00  0.00    +0.230 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.140  -2.350  -0.204  0.00  0.00    +0.060 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.324  -1.706   0.520  0.00  0.00    +0.108 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.531  -1.810  -0.317  0.00  0.00    -0.333 N 
ATOM     22  C   LIG    1        3.390  -2.958  -0.039  0.00  0.00    +0.129 C 
BRANCH  21  23
ATOM     23  C   LIG    1        3.090  -0.632  -0.825  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        4.474  -0.471  -1.012  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.042   0.719  -1.513  0.00  0.00    -0.035 A 
ATOM     26  C   LIG    1        4.202   1.780  -1.856  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        2.826   1.642  -1.713  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        2.284   0.451  -1.216  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  C   LIG    1        6.537   0.833  -1.695  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.342   0.841  -0.410  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        6.906   0.710   0.722  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.671   0.997  -0.643  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        8.905   1.084  -1.585  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12