REMARK  Name = BDB057731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.952   0.376   0.361  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1        0.709   0.934   1.032  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1        1.719   1.863   0.398  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.640   0.712   0.392  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -1.098  -0.582   0.103  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -2.354  -0.816  -0.481  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -2.755  -2.231  -0.782  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -3.201   0.275  -0.723  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1       -2.756   1.587  -0.499  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -3.586   2.790  -0.847  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -1.490   1.782   0.079  0.00  0.00    +0.011 A 
BRANCH   8  12
ATOM     12  O   LIG    1       -4.433   0.053  -1.277  0.00  0.00    -0.475 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -5.559  -0.067  -0.366  0.00  0.00    +0.200 C 
ATOM     14  C   LIG    1       -6.227  -1.418  -0.652  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -5.274   0.062   1.138  0.00  0.00    +0.067 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.574   1.010  -0.792  0.00  0.00    +0.348 C 
ATOM     17  O   LIG    1       -7.505   1.409  -0.108  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -6.362   1.465  -2.055  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -5.551   1.046  -2.419  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   2   4
BRANCH   1  20
ATOM     20  C   LIG    1        3.014  -0.280   1.200  0.00  0.00    +0.152 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.334  -0.272   0.447  0.00  0.00    -0.019 A 
ATOM     22  C   LIG    1        4.630  -1.248  -0.516  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        5.840  -1.220  -1.214  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        6.777  -0.205  -0.975  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        6.483   0.772  -0.013  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        5.273   0.743   0.685  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  C   LIG    1        8.093  -0.185  -1.712  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        9.066  -0.871  -1.051  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        8.583   1.073  -1.896  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.022  -0.740  -2.954  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  20  21
BRANCH  20  32
ATOM     31  C   LIG    1        3.137  -2.138   2.671  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        2.579  -1.617   1.471  0.00  0.00    -0.375 OA
ENDBRANCH  20  32
ENDBRANCH   1  20
TORSDOF 9