REMARK  Name = BDB058114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.338  -0.546  -0.670  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.832  -0.599  -0.995  0.00  0.00    +0.175 C 
ATOM      3  C   LIG    1       -3.749   0.257  -0.145  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -4.582  -0.559   0.624  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -5.532  -0.061   1.492  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -5.655   1.325   1.581  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.841   2.165   0.803  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1       -4.322  -1.893   0.366  0.00  0.00    -0.282 N 
ATOM      9  H   LIG    1       -4.800  -2.680   0.778  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -3.886   1.633  -0.070  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.316  -2.039  -0.579  0.00  0.00    +0.254 C 
ATOM     12  O   LIG    1       -2.901  -3.113  -0.988  0.00  0.00    -0.272 OA
BRANCH   2  13
ATOM     13  O   LIG    1       -3.069  -0.416  -2.385  0.00  0.00    -0.374 OA
ATOM     14  H   LIG    1       -3.973  -0.074  -2.488  0.00  0.00    +0.211 HD
ENDBRANCH   2  13
ENDBRANCH   1   2
BRANCH   1  16
ATOM     15  O   LIG    1       -1.166   1.713  -1.548  0.00  0.00    -0.293 OA
ATOM     16  C   LIG    1       -0.613   0.722  -1.074  0.00  0.00    +0.160 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.866   0.805  -0.876  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1        1.626  -0.166  -0.349  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.079  -0.040  -0.162  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1        3.660  -0.597   0.988  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1        5.027  -0.498   1.142  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        5.744  -0.975   2.196  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        7.080  -0.590   1.811  0.00  0.00    +0.466 C 
ATOM     24  O   LIG    1        7.137   0.102   0.546  0.00  0.00    -0.453 OA
ATOM     25  C   LIG    1        5.822   0.114   0.203  0.00  0.00    +0.166 A 
ATOM     26  C   LIG    1        5.293   0.659  -0.946  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        3.908   0.574  -1.129  0.00  0.00    +0.012 A 
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5