REMARK  Name = BDB056948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.031  -1.190  -0.955  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        1.092  -0.645  -0.302  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        1.209  -0.002   0.928  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        2.436   0.427   1.081  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        3.096  -0.025  -0.036  0.00  0.00    +0.185 A 
ATOM      6  N   LIG    1        2.322  -0.710  -0.885  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1        0.155  -1.925  -1.927  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.120  -0.592   0.152  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -3.255   0.519   0.057  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -1.920   0.331  -0.315  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.438  -0.960  -0.558  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -2.298  -2.058  -0.484  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -3.634  -1.875  -0.124  0.00  0.00    +0.050 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.346  -1.390   0.509  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.412  -0.319   0.527  0.00  0.00    -0.491 OA
ENDBRANCH   8  15
BRANCH   9  16
ATOM     16  O   LIG    1       -3.814   1.741   0.340  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -2.970   2.884   0.306  0.00  0.00    +0.277 C 
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  C   LIG    1        4.512   0.222  -0.249  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        5.173  -0.258  -1.376  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1        6.493  -0.060  -1.632  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        7.187   0.650  -0.719  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        6.627   1.172   0.436  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.271   0.952   0.671  0.00  0.00    +0.014 A 
ENDBRANCH   5  18
BRANCH   3  24
ATOM     24  N   LIG    1        0.233   0.147   1.851  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1        0.567   0.486   2.752  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -0.463  -0.583   1.981  0.00  0.00    +0.145 HD
ENDBRANCH   3  24
TORSDOF 5