REMARK  Name = BDB047464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.720  -0.029  -0.391  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -2.126   0.869  -0.636  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.618  -0.695   0.493  0.00  0.00    +0.151 A 
ATOM      4  C   LIG    1       -3.953  -0.825   0.091  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1       -4.438  -0.351  -1.149  0.00  0.00    -0.333 N 
ATOM      6  H   LIG    1       -3.667  -0.157  -1.785  0.00  0.00    +0.147 HD
ATOM      7  C   LIG    1       -5.340   0.783  -0.990  0.00  0.00    +0.140 C 
ATOM      8  C   LIG    1       -6.649   0.499  -0.293  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -6.935  -0.630   0.487  0.00  0.00    +0.135 A 
ATOM     10  O   LIG    1       -6.096  -1.696   0.710  0.00  0.00    -0.436 OA
ATOM     11  C   LIG    1       -8.202  -0.783   1.073  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -9.181   0.196   0.927  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -8.905   1.335   0.182  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.654   1.484  -0.419  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -4.787  -1.412   1.031  0.00  0.00    +0.247 A 
ATOM     16  N   LIG    1       -4.380  -1.886   2.223  0.00  0.00    -0.199 NA
ATOM     17  C   LIG    1       -3.081  -1.729   2.482  0.00  0.00    +0.227 A 
ATOM     18  N   LIG    1       -2.175  -1.155   1.678  0.00  0.00    -0.218 NA
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.423   0.140  -0.329  0.00  0.00    +0.222 A 
ATOM     20  N   LIG    1        1.751   1.104  -0.960  0.00  0.00    -0.221 NA
ATOM     21  C   LIG    1        0.405   1.018  -0.944  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -0.320   0.033  -0.298  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        0.486  -0.923   0.289  0.00  0.00    +0.139 A 
ATOM     24  N   LIG    1        1.842  -0.891   0.302  0.00  0.00    -0.221 NA
BRANCH  19  26
ATOM     25  C   LIG    1        4.655   1.020  -0.868  0.00  0.00    +0.250 C 
ATOM     26  N   LIG    1        3.807   0.126  -0.267  0.00  0.00    -0.250 N 
ATOM     27  H   LIG    1        4.159  -0.678   0.226  0.00  0.00    +0.158 HD
ATOM     28  O   LIG    1        4.350   1.952  -1.602  0.00  0.00    -0.270 OA
BRANCH  25  33
ATOM     29  C   LIG    1       10.320   0.143   0.033  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        8.850   0.340  -0.198  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        7.929   0.057   0.818  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.562   0.271   0.617  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1        6.103   0.775  -0.607  0.00  0.00    +0.037 A 
ATOM     34  C   LIG    1        7.025   1.090  -1.611  0.00  0.00    +0.013 A 
ATOM     35  C   LIG    1        8.390   0.874  -1.408  0.00  0.00    +0.004 A 
ENDBRANCH  25  33
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 4