REMARK  Name = BDB055081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.721   1.318  -0.591  0.00  0.00    -0.285 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.085   2.491  -0.027  0.00  0.00    +0.291 A 
ATOM      3  O   LIG    1       -0.262   3.009   0.941  0.00  0.00    -0.424 OA
ATOM      4  C   LIG    1       -0.870   4.169   1.313  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -2.022   4.300   0.560  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -2.836   5.423   0.755  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -2.439   6.368   1.713  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.263   6.197   2.455  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.440   5.079   2.271  0.00  0.00    +0.048 A 
ATOM     10  N   LIG    1       -2.146   3.229  -0.287  0.00  0.00    -0.195 NA
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -1.572   0.724  -1.613  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.664  -0.140  -0.974  0.00  0.00    +0.019 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.545  -0.794  -2.040  0.00  0.00    +0.002 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.723  -1.580  -1.458  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.296  -2.807  -0.650  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.094  -4.837   0.616  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.510  -3.617  -0.192  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.464   0.595  -0.145  0.00  0.00    +0.114 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.722   1.122  -0.845  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.958   0.367  -0.420  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        3.420  -0.724  -1.165  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.555  -1.436  -0.760  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        5.238  -1.066   0.399  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.774   0.018   1.147  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.643   0.731   0.744  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.352  -1.673   0.907  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.906  -2.743   0.153  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.155  -3.295   0.813  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1        8.512  -4.464   0.790  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.929  -2.365   1.406  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        9.683  -2.870   1.773  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 14