REMARK  Name = BDB047498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.544  -0.731   0.627  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.218  -0.000   0.570  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.377  -0.436   1.606  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.115   0.110   1.812  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.673   1.107   0.945  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.506   1.538  -0.100  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.031  -1.510   2.417  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.780   0.991  -0.292  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.107  -1.982   1.435  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.213  -1.058  -0.725  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.441  -0.086  -2.738  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.045   0.119  -1.281  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.098  -2.292  -0.622  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.908  -3.310  -1.271  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.123  -2.186   0.252  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.189  -1.331   0.715  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.537   1.743   1.002  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.447   1.323   2.025  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.740   2.126   1.891  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.595   1.641   0.774  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.503   1.886  -0.580  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.590   2.660  -1.439  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.516   1.210  -1.199  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.181   0.583  -0.178  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.668   0.811   1.017  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.337  -0.231  -0.545  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        7.067  -0.890   0.460  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        8.178  -1.675   0.140  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        8.563  -1.806  -1.188  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1        9.627  -2.558  -1.496  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.859  -1.166  -2.201  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        6.749  -0.380  -1.880  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9