REMARK  Name = BDB024967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.821   0.111  -0.719  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.933  -0.315   0.284  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.447  -1.325   1.234  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.484  -0.717   2.192  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.372  -2.022   2.083  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.119  -2.263   1.268  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.617  -0.923   0.814  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.246  -0.593   0.833  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.185  -1.356   1.243  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.890  -0.615   1.075  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.558   0.624   0.554  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.816   0.657   0.400  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.716   1.624  -0.057  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.075   1.285  -0.081  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.540   0.027   0.324  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        7.013  -0.188  -0.741  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.499   1.692   0.220  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.510   2.029  -1.279  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.547   3.111  -1.598  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.332   4.356  -0.727  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.346   4.012   0.760  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.315   2.938   1.099  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.484   3.466  -3.067  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -2.043   4.490  -3.559  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.988   2.491  -3.847  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -2.886   2.836  -4.760  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.130   1.214  -2.771  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.242   0.834  -1.721  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.276  -1.073   1.412  0.00  0.00    +0.075 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.001  -1.615   0.176  0.00  0.00    +0.011 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.465  -1.992   0.466  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -5.201  -2.413  -0.809  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -4.850  -3.885  -1.003  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -4.471  -4.415   0.379  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -4.625  -3.238   1.338  0.00  0.00    +0.003 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7