REMARK  Name = BDB027595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.301  -1.565  -0.304  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.940  -1.374   0.273  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -2.111  -2.062  -0.259  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.284  -1.562   0.596  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -2.604  -1.324   1.950  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.225  -0.789   1.576  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.486  -2.313  -1.261  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        3.735   0.428   1.319  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.743  -0.955   1.090  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.620  -1.597   0.562  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.470  -0.860   0.271  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        1.460   0.522   0.470  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.587   1.160   1.002  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.139   2.325   2.148  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        4.906   0.997   1.858  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        5.676   0.360   2.018  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        4.389   3.273   1.955  0.00  0.00    -0.270 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.966   1.826   3.726  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1        6.511   2.567   2.701  0.00  0.00    +0.007 C 
BRANCH  19  20
ATOM     20  C   LIG    1        7.270   3.727   2.116  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        7.727   3.452   0.690  0.00  0.00    +0.009 C 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  N   LIG    1       -3.836  -0.295   0.113  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1       -3.150   0.428  -0.084  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.593  -0.389  -1.048  0.00  0.00    +0.216 A 
ATOM     25  N   LIG    1       -5.325  -1.483  -1.297  0.00  0.00    -0.215 NA
ATOM     26  C   LIG    1       -6.029  -1.524  -2.437  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1       -6.014  -0.479  -3.361  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -6.761  -0.546  -4.554  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -7.532  -1.672  -4.826  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.555  -2.721  -3.913  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -5.219   0.598  -3.008  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -6.807  -2.637  -2.733  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1       -4.505   0.663  -1.869  0.00  0.00    -0.222 NA
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 6