REMARK  Name = BDB048904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.814  -0.670   1.158  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1       -1.903   0.165   0.492  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.565  -0.223   0.542  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1       -0.150  -1.363   1.209  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1        1.202  -1.525   1.116  0.00  0.00    -0.208 NA
ATOM      6  C   LIG    1        1.646  -0.504   0.402  0.00  0.00    +0.141 A 
ATOM      7  N   LIG    1       -0.997  -2.189   1.858  0.00  0.00    -0.234 NA
ATOM      8  N   LIG    1        0.591   0.304   0.034  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        0.658   1.138  -0.528  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -2.296  -1.806   1.799  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -6.316   0.270   0.012  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -4.943  -0.028   0.001  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -4.255  -0.363   1.181  0.00  0.00    -0.016 A 
ATOM     14  C   LIG    1       -4.986  -0.389   2.380  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -6.352  -0.095   2.400  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -7.018   0.234   1.220  0.00  0.00    +0.011 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -8.472   0.772  -1.320  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -6.974   0.625  -1.280  0.00  0.00    +0.160 C 
ATOM     19  O   LIG    1       -6.290   0.801  -2.286  0.00  0.00    -0.292 OA
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        3.046  -0.260   0.036  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        3.479   0.912  -0.588  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.834   1.094  -0.918  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        5.818   0.132  -0.636  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        5.357  -1.043  -0.021  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        4.007  -1.234   0.315  0.00  0.00    +0.013 A 
BRANCH  23  26
ATOM     26  N   LIG    1        7.160   0.319  -0.987  0.00  0.00    -0.336 N 
ATOM     27  C   LIG    1        7.645   1.683  -1.194  0.00  0.00    +0.129 C 
ATOM     28  C   LIG    1        8.159  -0.639  -0.517  0.00  0.00    +0.129 C 
ENDBRANCH  23  26
ENDBRANCH   6  20
TORSDOF 4