REMARK  Name = BDB058929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.060   0.581  -0.625  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.658   1.715  -0.218  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.999   1.614   0.165  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.665   0.380   0.139  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.949  -0.750  -0.282  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.608  -0.651  -0.666  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.071   0.270   0.557  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        5.137   0.871  -0.142  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        6.451   0.805   0.348  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.726   0.109   1.523  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.691  -0.514   2.215  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.379  -0.431   1.739  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        4.946   1.609  -1.405  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        5.376   2.720  -1.652  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.308   0.867  -2.326  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        4.266   1.443  -3.116  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.499   0.724  -1.060  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.907  -0.268   0.800  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.380  -0.279  -0.476  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -2.881  -1.384  -1.137  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -3.690  -2.012  -0.192  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.356  -3.197  -0.552  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -4.197  -3.719  -1.837  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -3.381  -3.072  -2.764  0.00  0.00    +0.005 A 
ATOM     25  F   LIG    1       -5.147  -3.840   0.320  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -2.705  -1.891  -2.434  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1       -3.689  -1.312   0.989  0.00  0.00    -0.229 NA
BRANCH  18  28
ATOM     28  C   LIG    1       -2.630   0.777   1.834  0.00  0.00    +0.074 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -5.022   1.598   2.152  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.596   1.960   1.758  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7