REMARK  Name = BDB056894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304   5.343  -1.473  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.231   4.286  -1.525  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.498   3.071  -0.906  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.613   2.100  -0.891  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1        0.115   0.739  -0.550  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.793  -0.504  -0.510  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.031  -1.483  -0.110  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.228  -0.889   0.081  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.176   0.455  -0.151  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.246   1.478  -0.048  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.590   2.871   0.070  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.829   4.511  -2.110  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.193  -0.778  -0.829  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.107  -1.264   0.148  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.457  -1.498  -0.215  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        5.352  -1.974   0.772  0.00  0.00    +0.078 A 
ATOM     17  C   LIG    1        4.884  -2.188   2.062  0.00  0.00    +0.130 A 
ATOM     18  N   LIG    1        3.611  -1.973   2.445  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        4.849  -1.241  -1.551  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        3.944  -0.770  -2.501  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.762  -1.528   1.487  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        2.623  -0.540  -2.143  0.00  0.00    +0.011 A 
BRANCH  16  23
ATOM     23  C   LIG    1        6.732  -2.242   0.503  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1        7.851  -2.458   0.288  0.00  0.00    -0.191 NA
ENDBRANCH  16  23
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1       -2.333  -1.719   0.546  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -2.668  -1.461   2.016  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -3.761  -2.413   2.491  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -4.654  -2.822   1.455  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.854  -1.832   0.455  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -3.576  -1.653  -0.352  0.00  0.00    +0.055 C 
ENDBRANCH   8  25
TORSDOF 3