REMARK  Name = BDB044062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.437   1.596   0.103  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.642   1.623  -0.782  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.953   1.728  -0.308  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -2.202   1.798   1.066  0.00  0.00    -0.021 A 
ATOM      5  C   LIG    1       -1.118   1.792   1.951  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.195   1.688   1.473  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.561   1.921   1.602  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.582   1.127   1.254  0.00  0.00    +0.176 C 
ATOM      9  C   LIG    1       -5.949   1.255   1.818  0.00  0.00    +0.231 C 
ATOM     10  O   LIG    1       -6.370   2.047   2.631  0.00  0.00    -0.283 OA
ATOM     11  C   LIG    1       -6.677   0.181   1.153  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -5.781  -0.476   0.307  0.00  0.00    +0.152 A 
ATOM     13  C   LIG    1       -6.193  -1.551  -0.460  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1       -7.543  -1.940  -0.348  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -8.436  -1.266   0.511  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -8.002  -0.185   1.278  0.00  0.00    +0.015 A 
ATOM     17  O   LIG    1       -4.519   0.073   0.351  0.00  0.00    -0.451 OA
BRANCH  13  18
ATOM     18  C   LIG    1       -5.309  -2.308  -1.383  0.00  0.00    +0.245 C 
ATOM     19  O   LIG    1       -5.745  -3.225  -2.069  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -3.990  -1.963  -1.447  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -3.392  -2.499  -2.063  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -3.567  -1.240  -0.879  0.00  0.00    +0.145 HD
ENDBRANCH  13  18
ENDBRANCH   4   7
BRANCH   1  23
ATOM     23  O   LIG    1        1.660   1.490  -0.494  0.00  0.00    -0.491 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.800   1.376   0.360  0.00  0.00    +0.244 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.075   1.215  -0.491  0.00  0.00    +0.125 C 
BRANCH  25  30
ATOM     26  C   LIG    1        7.578  -1.705   0.469  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1        6.447  -0.971  -0.084  0.00  0.00    -0.303 NA
ATOM     28  C   LIG    1        5.163  -1.602   0.279  0.00  0.00    +0.099 C 
ATOM     29  C   LIG    1        3.986  -1.244  -0.667  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1        4.119   0.035  -1.385  0.00  0.00    -0.297 NA
ATOM     31  C   LIG    1        5.390   0.018  -2.150  0.00  0.00    +0.100 C 
ATOM     32  C   LIG    1        6.551  -0.820  -1.542  0.00  0.00    +0.099 C 
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6