REMARK  Name = BDB046517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.536  -1.409   0.979  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.456  -0.966   2.331  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.247  -0.438   2.810  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.142   0.065   4.109  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.240   0.025   4.963  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.444  -0.505   4.510  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.879  -0.318   2.042  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.919  -1.256   0.975  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        2.554  -0.992   3.202  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.390  -1.405   0.183  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.413  -1.600  -1.032  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        2.817  -1.707   0.342  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.519  -0.440  -0.155  0.00  0.00    +0.020 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.866  -0.769  -0.801  0.00  0.00    +0.007 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.551   0.493  -1.334  0.00  0.00    +0.075 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.610   1.405  -2.490  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1        6.913   0.179  -1.938  0.00  0.00    +0.246 C 
ATOM     18  F   LIG    1        7.707  -0.388  -0.994  0.00  0.00    -0.206 F 
ATOM     19  F   LIG    1        6.774  -0.733  -2.933  0.00  0.00    -0.206 F 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1       -2.072  -0.863   0.048  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.414  -0.868   0.778  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.474  -0.525  -0.114  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.813   0.793  -0.273  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -5.928   1.033  -1.100  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.348   2.353  -1.332  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.675   3.422  -0.746  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.574   3.183   0.070  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.142   1.875   0.304  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -6.662  -0.112  -1.762  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.915  -0.704  -2.932  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -5.066  -0.176  -3.631  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.337  -1.955  -3.223  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -5.777  -2.207  -3.987  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 12