REMARK  Name = BDB009179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.025   1.648  -0.901  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.855   1.629   0.192  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.124   2.223   0.096  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.483   2.867  -1.097  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.604   2.901  -2.180  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.352   2.294  -2.083  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.288   1.456  -1.534  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.376   1.025  -0.838  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        1.513  -0.058   0.008  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        0.689  -0.493   0.394  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.764  -0.795   0.082  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.829  -0.064   0.904  0.00  0.00    +0.056 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.100  -0.848   1.002  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1        6.120  -0.937   0.002  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        7.123  -1.770   0.499  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        8.279  -2.080  -0.227  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        8.413  -1.521  -1.501  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        7.430  -0.685  -2.025  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1        6.731  -2.166   1.756  0.00  0.00    -0.360 N 
ATOM     20  H   LIG    1        7.271  -2.772   2.358  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1        6.281  -0.385  -1.286  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        5.515  -1.621   2.069  0.00  0.00    +0.087 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -3.059   2.219   1.284  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.482   1.781   0.946  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.766   0.341   0.652  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -3.680  -0.695   0.729  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -4.213  -2.132   0.739  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.314  -2.315  -0.298  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -6.480  -1.360  -0.035  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.033   0.031   0.324  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -7.076   1.086   0.297  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -8.244   0.835   0.019  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.656   2.351   0.609  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -7.353   3.087   0.596  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.385   2.716   0.924  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6