REMARK  Name = BDB059461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.900   1.101   0.022  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -4.160  -0.222   0.424  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.097  -1.114   0.596  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.769  -0.705   0.372  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.511   0.613  -0.019  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -0.184   1.003  -0.209  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        0.875   0.099  -0.026  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        2.298   0.482  -0.142  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        3.280  -0.508  -0.402  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1        4.638  -0.181  -0.562  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        5.000   1.137  -0.424  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.258   1.635  -0.532  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.021   3.040  -0.292  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        4.630   3.342  -0.039  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.073   2.107  -0.145  0.00  0.00    +0.167 A 
ATOM     16  C   LIG    1        2.828  -1.931  -0.539  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        1.702  -2.205   0.454  0.00  0.00    +0.200 C 
ATOM     18  C   LIG    1        2.731   1.816   0.002  0.00  0.00    +0.059 A 
ATOM     19  N   LIG    1        0.594  -1.204   0.285  0.00  0.00    -0.332 N 
ATOM     20  C   LIG    1       -0.691  -1.579   0.526  0.00  0.00    +0.095 A 
ATOM     21  C   LIG    1       -2.579   1.509  -0.194  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  23
ATOM     22  C   LIG    1       -4.795   3.252  -0.547  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.996   1.910  -0.125  0.00  0.00    -0.491 OA
ENDBRANCH   1  23
BRANCH   2  24
ATOM     24  O   LIG    1       -5.480  -0.540   0.617  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.806  -1.849   1.059  0.00  0.00    +0.277 C 
ENDBRANCH   2  24
BRANCH  17  26
ATOM     26  C   LIG    1        1.314  -3.653   0.268  0.00  0.00    +0.328 C 
ATOM     27  O   LIG    1        1.574  -4.559   1.039  0.00  0.00    -0.249 OA
BRANCH  26  28
ATOM     28  O   LIG    1        0.621  -3.894  -0.864  0.00  0.00    -0.479 OA
ATOM     29  H   LIG    1        0.498  -4.873  -0.907  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  17  26
TORSDOF 4