REMARK  Name = BDB014076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.286  -0.438  -0.959  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -0.471   0.253   0.100  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -1.912   0.567  -0.359  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -2.707  -0.598  -0.811  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.830  -1.737  -1.155  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.507  -1.316  -1.829  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.624   1.171   2.333  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1        4.365   0.499   1.268  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1        3.684   0.030   0.130  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1        2.309   0.035   0.104  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1        1.665  -0.426  -0.923  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        2.336  -0.902  -2.011  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        1.840  -1.178  -2.839  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1        3.690  -0.887  -2.111  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1        4.267  -1.240  -3.135  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        4.409  -0.415  -0.918  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1        5.907  -0.456  -0.949  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1        6.519  -0.289   0.438  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        5.796   0.806   1.210  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -3.719  -1.014   0.172  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.889  -0.047   0.257  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -5.268   0.590   1.454  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -6.371   1.459   1.469  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -7.101   1.698   0.305  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.735   1.073  -0.882  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.641   0.207  -0.907  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.549   0.386   2.680  0.00  0.00    +0.099 C 
ATOM     28  N   LIG    1       -3.958   0.219   3.664  0.00  0.00    -0.191 NA
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 4