REMARK  Name = BDB017105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.481   0.678  -1.106  0.00  0.00    +0.171 C 
ATOM      2  O   LIG    1        0.228   0.671  -2.312  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.560  -0.041  -0.022  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        3.539  -0.680   0.695  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        2.191  -0.480   0.372  0.00  0.00    +0.134 A 
ATOM      6  C   LIG    1        1.875   0.390  -0.679  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        2.895   1.018  -1.409  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        4.234   0.810  -1.075  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1        6.903   0.230  -0.331  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        5.826  -0.334   0.408  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
BRANCH   5  11
ATOM     11  O   LIG    1        1.150  -1.097   1.009  0.00  0.00    -0.494 OA
ATOM     12  C   LIG    1        1.459  -2.185   1.882  0.00  0.00    +0.277 C 
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   1  13
ATOM     13  C   LIG    1       -0.559   1.063  -0.061  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -1.690   0.015  -0.073  0.00  0.00    +0.096 C 
ATOM     15  N   LIG    1       -2.888   0.565   0.569  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -3.457   1.685  -0.201  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -2.428   2.455  -1.038  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -1.068   2.488  -0.353  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -3.967  -0.366   0.945  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -3.473  -1.470   1.898  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -3.543  -2.485   0.742  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.284  -1.438  -0.111  0.00  0.00    +0.019 C 
ENDBRANCH  15  19
ENDBRANCH   1  13
TORSDOF 5