REMARK  Name = BDB027545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.141  -1.866   1.786  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.019  -1.075   1.630  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.877   0.111   0.794  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.634   0.222   0.515  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.227  -0.393   1.786  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.279  -1.546   2.076  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.103  -2.989   2.282  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.949  -0.452   0.405  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        5.164   0.352   1.236  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.921  -0.098   1.696  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.446  -1.352   1.308  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.232  -2.174   0.498  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.475  -1.722   0.045  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.882   1.108   0.134  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        7.209  -0.070  -0.100  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        7.685  -0.761  -0.663  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.542   2.032   0.862  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.479   0.695  -1.764  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        9.200   1.201  -0.555  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -1.045   1.605   0.336  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -0.368   2.224  -0.099  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.221   1.800  -0.371  0.00  0.00    +0.217 A 
ATOM     23  N   LIG    1       -3.213   0.905  -0.318  0.00  0.00    -0.196 NA
ATOM     24  C   LIG    1       -4.338   1.157  -1.019  0.00  0.00    +0.149 A 
ATOM     25  C   LIG    1       -4.481   2.301  -1.784  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -5.693   2.571  -2.535  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1       -6.691   1.686  -2.481  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1       -6.594   0.440  -1.680  0.00  0.00    +0.253 A 
ATOM     29  O   LIG    1       -7.565  -0.314  -1.691  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -3.400   3.154  -1.783  0.00  0.00    +0.126 A 
ATOM     31  N   LIG    1       -5.415   0.217  -0.979  0.00  0.00    -0.290 N 
ATOM     32  N   LIG    1       -2.267   2.922  -1.095  0.00  0.00    -0.222 NA
BRANCH  31  33
ATOM     33  C   LIG    1       -5.257  -1.001  -0.159  0.00  0.00    +0.086 C 
ATOM     34  C   LIG    1       -6.257  -1.048   1.000  0.00  0.00    +0.031 C 
ATOM     35  C   LIG    1       -5.319  -2.278  -1.003  0.00  0.00    +0.031 C 
ENDBRANCH  31  33
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6