REMARK  Name = BDB052280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.854   0.051  -0.816  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.357   0.587  -0.362  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -1.468   0.618  -1.228  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.335   0.125  -2.520  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -2.564   0.298  -3.101  0.00  0.00    -0.277 N 
ATOM      6  H   LIG    1       -2.842   0.051  -4.043  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1       -3.475   0.885  -2.306  0.00  0.00    -0.177 NA
ATOM      8  C   LIG    1       -0.143  -0.413  -3.008  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -2.814   1.047  -1.156  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        0.947  -0.436  -2.128  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1        1.299   0.815   2.030  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.176   0.362   1.297  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1        2.017  -0.031  -0.021  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        2.842  -0.393  -0.486  0.00  0.00    +0.155 HD
BRANCH  12  15
ATOM     15  C   LIG    1        3.577   0.112   1.846  0.00  0.00    +0.131 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.700   0.543   0.931  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1        4.821   1.884   0.537  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.848   2.278  -0.320  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.768   1.341  -0.786  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.663   0.008  -0.393  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.636  -0.390   0.464  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1  13
BRANCH   9  22
ATOM     22  C   LIG    1       -3.455   1.689   0.110  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -4.044   0.841   1.223  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -4.947   1.607   0.289  0.00  0.00    +0.019 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.952  -0.670   1.197  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -5.019  -1.490   0.796  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.910  -2.884   0.792  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.728  -3.493   1.200  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.660  -2.707   1.621  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.778  -1.315   1.623  0.00  0.00    +0.004 A 
ENDBRANCH  23  25
ENDBRANCH   9  22
TORSDOF 5