REMARK  Name = BDB056877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.000   5.473  -0.052  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.605   4.099  -0.178  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.743   3.041  -0.434  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.378   1.724  -0.645  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.373   0.636  -0.487  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.527  -0.774  -0.448  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1        0.664  -1.383  -0.333  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.563  -0.380  -0.253  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.984   0.847  -0.372  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.628   2.182  -0.356  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.638   3.216  -0.937  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.820   3.946  -0.042  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.754  -1.547  -0.558  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.757  -1.561   0.443  0.00  0.00    -0.006 A 
ATOM     15  C   LIG    1       -3.930  -2.309   0.193  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.964  -2.349   1.146  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -4.847  -1.663   2.353  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.694  -0.936   2.624  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.025  -3.001  -1.018  0.00  0.00    +0.119 A 
ATOM     20  N   LIG    1       -3.072  -3.017  -1.975  0.00  0.00    -0.262 NA
ATOM     21  C   LIG    1       -2.661  -0.888   1.685  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -1.958  -2.296  -1.715  0.00  0.00    +0.121 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.971  -0.696  -0.051  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.231  -1.251   1.357  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        4.463  -2.145   1.383  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        5.418  -1.670   0.439  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        5.003  -1.889  -0.911  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        3.513  -1.642  -1.124  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2