REMARK  Name = BDB023918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.646  -4.868  -1.214  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.290  -4.384  -0.769  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.218  -3.117  -0.202  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.887  -2.715   0.293  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.846  -1.249   0.543  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.759  -0.392   0.856  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.177   0.878   0.987  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.503   0.839   0.747  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.948  -0.423   0.495  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.321  -0.876   0.170  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.394  -2.408   0.350  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.299  -5.099  -0.921  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.646  -0.750   1.030  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.666  -0.211   0.200  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.000  -0.619   0.403  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.015  -0.108  -0.420  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.695   0.795  -1.428  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        2.429   1.206  -1.651  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        3.299  -1.539   1.423  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.300  -2.054   2.256  0.00  0.00    -0.049 A 
ATOM     21  C   LIG    1        2.638  -3.055   3.321  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        1.461   0.706  -0.844  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        0.975  -1.664   2.045  0.00  0.00    +0.014 A 
BRANCH  17  24
ATOM     24  C   LIG    1        4.692   1.363  -2.319  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        6.049   1.107  -2.326  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        6.577   1.864  -3.334  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.962   1.936  -3.732  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.664   2.598  -3.990  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.519   2.293  -3.372  0.00  0.00    +0.144 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.268   2.083   0.751  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.956   2.917  -0.499  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.341   4.369  -0.267  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -2.680   4.968   0.846  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -2.136   4.058   1.804  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.069   2.885   2.048  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3