REMARK  Name = BDB048567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.529   4.571   0.590  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -0.598   3.569  -0.561  0.00  0.00    +0.071 C 
ATOM      3  C   LIG    1        0.289   2.389  -0.324  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -0.447   1.240  -0.186  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1        0.077   0.036   0.017  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1        1.414  -0.022   0.114  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        2.214   1.057  -0.015  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1       -1.808   1.543  -0.300  0.00  0.00    -0.247 N 
ATOM      9  C   LIG    1        1.639   2.254  -0.234  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -1.990   2.897  -0.584  0.00  0.00    +0.232 C 
ATOM     11  O   LIG    1       -3.049   3.460  -0.813  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1       -0.322   4.237  -1.907  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.895   0.588  -0.317  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -2.795  -0.553   0.658  0.00  0.00    -0.020 A 
ATOM     15  C   LIG    1       -2.533  -1.765   0.002  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -2.356  -2.926   0.733  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -2.473  -2.883   2.120  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -2.752  -1.673   2.772  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.402  -1.549  -1.474  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -2.910  -0.494   2.041  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.031  -0.160  -1.660  0.00  0.00    +0.032 C 
BRANCH  16  22
ATOM     22  O   LIG    1       -2.056  -4.122   0.157  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -2.021  -4.000  -0.805  0.00  0.00    +0.292 HD
ENDBRANCH  16  22
ENDBRANCH   8  13
BRANCH   6  24
ATOM     24  N   LIG    1        1.913  -1.295   0.369  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        1.133  -1.921   0.521  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.192  -1.817   0.588  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        4.369  -1.070   0.487  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.622  -1.656   0.704  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.717  -3.007   1.022  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.560  -3.773   1.121  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        3.312  -3.181   0.902  0.00  0.00    +0.023 A 
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 4