REMARK  Name = BDB046782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.699  -1.267   0.430  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -2.178  -0.014   0.843  0.00  0.00    +0.133 A 
ATOM      3  C   LIG    1       -1.280   1.012   1.138  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.090   0.814   0.959  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.579  -0.410   0.500  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -0.316  -1.448   0.240  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.769  -3.500   0.505  0.00  0.00    +0.128 C 
ATOM      8  N   LIG    1       -3.805  -2.465   0.770  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1       -4.097  -1.644   1.291  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -2.578  -2.441   0.149  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -2.184  -3.333  -0.595  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   2  12
ATOM     12  O   LIG    1       -3.514   0.210   1.033  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -4.204   0.899  -0.032  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -3.612   0.824  -1.442  0.00  0.00    +0.072 C 
ATOM     15  C   LIG    1       -4.534   1.511  -2.448  0.00  0.00    +0.163 C 
ATOM     16  O   LIG    1       -5.374   2.504  -1.857  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -4.718   3.243  -0.833  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.482   2.350   0.377  0.00  0.00    +0.072 C 
ENDBRANCH  12  13
ENDBRANCH   2  12
BRANCH   5  19
ATOM     19  O   LIG    1        1.938  -0.466   0.360  0.00  0.00    -0.483 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.490  -1.685  -0.138  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.015  -1.597  -0.267  0.00  0.00    +0.255 C 
ATOM     22  N   LIG    1        4.521  -0.381   0.153  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        3.821   0.277   0.482  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        4.658  -2.548  -0.704  0.00  0.00    -0.272 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.861   0.045   0.177  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        6.937  -0.739  -0.242  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        8.242  -0.240  -0.185  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.482   1.047   0.291  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.416   1.837   0.712  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.112   1.338   0.655  0.00  0.00    +0.023 A 
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7