REMARK  Name = BDB018865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.221  -0.839   1.452  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.117  -0.891   1.065  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.690  -1.944   0.234  0.00  0.00    +0.143 C 
ATOM      4  C   LIG    1       -2.028  -1.609  -0.387  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -2.615  -2.549  -1.249  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -3.840  -2.288  -1.855  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.489  -1.080  -1.611  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.934  -0.115  -0.754  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -2.700  -0.395  -0.120  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -2.050   0.608   0.810  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1       -1.080  -0.059   1.779  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1        1.605  -0.065   2.334  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        4.190  -0.321   0.414  0.00  0.00    +0.404 C 
ATOM     14  N   LIG    1        3.603  -1.427   0.973  0.00  0.00    -0.256 N 
ATOM     15  C   LIG    1        2.209  -1.821   0.773  0.00  0.00    +0.165 C 
ATOM     16  C   LIG    1        2.116  -3.203   1.436  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        3.563  -3.679   1.534  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1        4.340  -2.393   1.751  0.00  0.00    +0.112 C 
ATOM     19  O   LIG    1        5.368  -0.029   0.566  0.00  0.00    -0.226 OA
BRANCH  13  20
ATOM     20  O   LIG    1        3.303   0.381  -0.336  0.00  0.00    -0.445 OA
BRANCH  20  22
ATOM     21  C   LIG    1        2.395   2.110  -1.663  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        3.677   1.633  -0.962  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1        4.080   2.680   0.082  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1        4.766   1.425  -2.019  0.00  0.00    +0.055 C 
ENDBRANCH  20  22
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   8  25
ATOM     25  C   LIG    1       -4.655   1.151  -0.554  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -4.227   2.329  -1.185  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.913   3.530  -0.996  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.038   3.569  -0.175  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.480   2.407   0.455  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.793   1.205   0.265  0.00  0.00    +0.008 A 
ENDBRANCH   8  25
TORSDOF 4