REMARK  Name = BDB059443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.747  -1.140  -1.000  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.746  -2.102  -1.027  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        2.477  -1.821  -0.514  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.113  -0.549  -0.000  0.00  0.00    -0.053 A 
ATOM      5  C   LIG    1        0.680  -0.437   0.542  0.00  0.00    -0.029 C 
ATOM      6  N   LIG    1        0.195   0.820   1.333  0.00  0.00    +0.390 N 
ATOM      7  C   LIG    1        1.223   1.143   2.426  0.00  0.00    -0.073 C 
ATOM      8  C   LIG    1        2.456   1.930   2.002  0.00  0.00    -0.013 C 
ATOM      9  C   LIG    1        2.973   1.809   0.578  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -1.073   0.321   2.125  0.00  0.00    -0.034 C 
ATOM     11  C   LIG    1       -2.150  -0.312   1.293  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -1.826  -0.942   0.085  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1       -2.844  -1.523  -0.677  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -4.169  -1.486  -0.242  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -4.509  -0.883   0.973  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -3.486  -0.320   1.760  0.00  0.00    +0.163 A 
ATOM     17  C   LIG    1       -0.410  -0.983  -0.429  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1        3.134   0.417   0.046  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1        4.425   0.110  -0.473  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        7.029  -0.562  -1.403  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.974  -1.509  -1.470  0.00  0.00    -0.491 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  O   LIG    1        3.966  -3.389  -1.444  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        4.058  -3.466  -2.868  0.00  0.00    +0.277 C 
ENDBRANCH   2  22
BRANCH  15  24
ATOM     24  O   LIG    1       -5.797  -0.776   1.421  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -6.832  -1.398   0.666  0.00  0.00    +0.277 C 
ENDBRANCH  15  24
BRANCH  16  26
ATOM     26  O   LIG    1       -3.642   0.298   2.979  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -4.745  -0.102   3.791  0.00  0.00    +0.277 C 
ENDBRANCH  16  26
BRANCH   6  28
ATOM     28  C   LIG    1       -0.235   2.118   0.589  0.00  0.00    -0.038 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.833   2.088  -0.792  0.00  0.00    -0.063 A 
ATOM     30  C   LIG    1       -0.021   2.038  -1.937  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -0.586   2.057  -3.215  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.967   2.136  -3.368  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.785   2.208  -2.245  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.223   2.194  -0.967  0.00  0.00    +0.002 A 
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 6