REMARK  Name = BDB058437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.404  -1.105   2.875  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.482  -0.765   1.735  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -1.998  -0.319   0.505  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.121  -0.020  -0.539  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.260  -0.156  -0.364  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.792  -0.583   0.858  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1       -0.093  -0.897   1.899  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1       -3.363  -0.221   0.439  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.932   0.260  -0.776  0.00  0.00    +0.264 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.430   0.332  -0.593  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -5.990   1.308   0.247  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -7.372   1.377   0.426  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -8.194   0.469  -0.231  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1       -9.521   0.536  -0.059  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -7.660  -0.509  -1.061  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -6.277  -0.581  -1.241  0.00  0.00    +0.010 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1        2.284  -0.771   1.049  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.059   0.317   0.423  0.00  0.00    -0.329 N 
ATOM     19  C   LIG    1        3.090   1.570   1.178  0.00  0.00    +0.129 C 
BRANCH  18  20
ATOM     20  C   LIG    1        4.139  -0.029  -0.391  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        5.367   0.650  -0.354  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.430   0.284  -1.197  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1        6.279  -0.738  -2.131  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        5.067  -1.413  -2.202  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.020  -1.060  -1.343  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.727   0.993  -1.133  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        8.355   1.333  -2.119  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        8.158   1.176   0.134  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        7.636   0.700   0.807  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 8