REMARK  Name = BDB016475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.463   1.551   0.827  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        0.483   2.837   1.356  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.722   3.482   1.891  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -0.723   3.509   1.359  0.00  0.00    +0.120 A 
ATOM      5  N   LIG    1       -1.865   3.004   0.868  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -1.785   1.762   0.361  0.00  0.00    +0.162 A 
ATOM      7  N   LIG    1       -0.664   1.015   0.323  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -2.995   1.227  -0.285  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.585  -0.023   0.037  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -4.724  -0.446  -0.686  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.290   0.345  -1.685  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.732   1.578  -1.987  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.602   2.010  -1.294  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.044  -0.920   1.146  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.110  -1.239   2.203  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -2.452  -2.208   0.569  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   6   8
BRANCH   1  17
ATOM     17  N   LIG    1        1.668   0.837   0.745  0.00  0.00    -0.320 N 
ATOM     18  H   LIG    1        2.145   0.859   1.646  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  CA  LIG    1        1.581  -0.566   0.320  0.00  0.00    +0.127 C 
BRANCH  19  23
ATOM     20  C   LIG    1        4.441  -0.976  -3.811  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.304  -1.105  -2.323  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        3.090  -0.794  -1.693  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        2.925  -0.940  -0.302  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        4.021  -1.384   0.451  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.228  -1.711  -0.170  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.366  -1.583  -1.550  0.00  0.00    +0.003 A 
ENDBRANCH  19  23
BRANCH  19  27
ATOM     27  C   LIG    1        1.161  -1.457   1.520  0.00  0.00    +0.182 C 
BRANCH  27  28
ATOM     28  O   LIG    1        1.855  -1.099   2.727  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1        1.479  -1.654   3.432  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  19  27
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7