REMARK  Name = BDB057730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.976  -2.091  -0.255  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -0.664  -2.030   0.513  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1       -1.213  -3.357   0.037  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.546  -1.407  -0.140  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1        1.774  -2.084  -0.205  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.913  -1.505  -0.792  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        4.171  -2.318  -0.865  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        2.839  -0.187  -1.263  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1        1.609   0.484  -1.293  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1        1.437   1.833  -1.920  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        0.490  -0.124  -0.697  0.00  0.00    +0.011 A 
BRANCH   8  12
ATOM     12  O   LIG    1        3.949   0.407  -1.797  0.00  0.00    -0.475 OA
BRANCH  12  13
ATOM     13  C   LIG    1        4.772   1.210  -0.908  0.00  0.00    +0.200 C 
ATOM     14  C   LIG    1        6.173   0.576  -0.913  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        4.281   1.370   0.543  0.00  0.00    +0.067 C 
BRANCH  13  16
ATOM     16  C   LIG    1        4.923   2.600  -1.559  0.00  0.00    +0.348 C 
ATOM     17  O   LIG    1        4.573   2.940  -2.679  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.558   3.508  -0.775  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        5.587   4.315  -1.333  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       -3.289  -1.759   0.409  0.00  0.00    +0.152 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.469  -0.247   0.388  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.161   0.371  -0.662  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.274   1.762  -0.711  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.699   2.565   0.279  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1       -3.019   1.956   1.332  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.902   0.563   1.382  0.00  0.00    +0.010 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -3.887   3.904   0.094  0.00  0.00    -0.406 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.274   4.788   1.018  0.00  0.00    +0.575 C 
ATOM     29  F   LIG    1       -1.935   4.640   1.024  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1       -3.759   4.604   2.268  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -3.553   6.053   0.643  0.00  0.00    -0.133 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
BRANCH  20  32
ATOM     32  O   LIG    1       -3.302  -2.250   1.756  0.00  0.00    -0.372 OA
BRANCH  32  34
ATOM     33  C   LIG    1       -5.010  -3.954   1.922  0.00  0.00    +0.034 C 
ATOM     34  C   LIG    1       -4.606  -2.526   2.256  0.00  0.00    +0.157 C 
ENDBRANCH  32  34
ENDBRANCH  20  32
ENDBRANCH   1  20
TORSDOF 11