REMARK  Name = BDB017138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.954   0.594   1.222  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -4.087   0.136  -0.118  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -2.923   0.101  -0.928  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.009  -0.325  -2.265  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -4.227  -0.718  -2.817  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.376  -0.689  -2.040  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.683   0.497  -0.402  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.574   0.909   0.925  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -5.309  -0.265  -0.711  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.706   0.977   1.733  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.238   1.829   2.861  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.687   2.655   2.667  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -6.070   1.934   3.429  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.118   0.672   2.143  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -5.928  -0.236   2.260  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -0.283   1.343   1.504  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1       -0.255   2.459   2.025  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1        0.956   0.452   1.454  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1        1.897   0.944   0.345  0.00  0.00    +0.095 C 
ATOM     20  N   LIG    1        3.030   0.025   0.211  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1        2.621  -1.312  -0.245  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1        1.174  -1.685   0.099  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1        0.710  -1.066   1.412  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1        4.098   0.599  -0.614  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.365  -0.189  -0.458  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        5.768  -1.241  -1.462  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.520   0.058  -1.397  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 5