REMARK  Name = BDB056282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.753   0.168   0.960  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.647   0.933  -0.209  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.513   0.854  -0.982  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        1.570   0.037  -0.565  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        1.463  -0.728   0.604  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.304  -0.649   1.378  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.807   0.609   2.975  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.961   0.261   1.807  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -3.205  -0.023   1.247  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -4.373   0.164   2.102  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.696  -0.118   1.385  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1       -5.670   0.441  -0.047  0.00  0.00    -0.005 C 
ATOM     13  C   LIG    1       -4.492  -0.168  -0.848  0.00  0.00    +0.023 C 
ATOM     14  C   LIG    1       -3.416  -0.804   0.032  0.00  0.00    +0.108 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.008   0.307  -0.822  0.00  0.00    -0.005 C 
ATOM     16  C   LIG    1       -7.560  -1.132  -0.905  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1       -8.769  -1.348   0.003  0.00  0.00    +0.081 C 
ATOM     18  N   LIG    1       -9.878  -0.438  -0.276  0.00  0.00    -0.316 NA
ATOM     19  H   LIG    1      -10.521  -0.860  -0.945  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -9.467   0.877  -0.771  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -8.077   1.282  -0.290  0.00  0.00    +0.019 C 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1        2.776  -0.057  -1.416  0.00  0.00    +0.247 C 
ATOM     23  N   LIG    1        4.028   0.180  -0.852  0.00  0.00    -0.297 N 
ATOM     24  C   LIG    1        5.189  -0.011  -1.715  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        6.522   0.176  -0.988  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1        6.441  -0.407   0.429  0.00  0.00    +0.060 C 
ATOM     27  C   LIG    1        5.320   0.281   1.247  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1        4.259   0.943   0.370  0.00  0.00    +0.109 C 
ATOM     29  O   LIG    1        2.614  -0.366  -2.595  0.00  0.00    -0.270 OA
BRANCH  26  30
ATOM     30  N   LIG    1        7.684  -0.445   1.220  0.00  0.00    -0.299 NA
ATOM     31  C   LIG    1        8.662  -1.432   0.749  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1        9.726  -0.680  -0.035  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        9.500   0.791   0.268  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        8.417   0.819   1.333  0.00  0.00    +0.085 C 
ENDBRANCH  26  30
ENDBRANCH   4  22
TORSDOF 4