REMARK  Name = BDB056881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.947   5.654  -1.295  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.060   4.534  -1.268  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.425   3.241  -1.109  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.587   2.169  -1.173  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1        0.030   0.895  -0.646  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.655  -0.347  -0.367  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.234  -1.236   0.099  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.405  -0.570   0.151  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.294   0.706  -0.314  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.342   1.748  -0.424  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.834   2.865  -1.361  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        1.262   4.780  -1.376  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.060  -0.706  -0.540  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.888  -1.057   0.563  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.249  -1.385   0.340  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        5.046  -1.719   1.457  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        4.492  -1.713   2.726  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        3.210  -1.404   2.973  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        4.748  -1.363  -0.989  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        3.917  -1.020  -2.063  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.446  -1.093   1.898  0.00  0.00    +0.119 A 
ATOM     22  C   LIG    1        2.584  -0.693  -1.840  0.00  0.00    +0.012 A 
BRANCH  19  23
ATOM     23  C   LIG    1        6.116  -1.691  -1.283  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1        7.221  -1.955  -1.521  0.00  0.00    -0.191 NA
ENDBRANCH  19  23
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1       -2.595  -1.237   0.664  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -2.377  -1.843   2.054  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -3.639  -2.559   2.509  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -4.035  -3.544   1.556  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.332  -2.990   0.277  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -3.112  -2.298  -0.311  0.00  0.00    +0.055 C 
ENDBRANCH   8  25
TORSDOF 3