REMARK  Name = BDB049693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.389   1.264   3.974  0.00  0.00    +0.225 A 
ATOM      2  N   LIG    1       -2.590   1.854   4.004  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -3.252   1.666   2.855  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -2.819   0.979   1.728  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -3.905   1.034   0.771  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -4.922   1.760   1.374  0.00  0.00    +0.089 A 
ATOM      7  C   LIG    1       -1.523   0.415   1.805  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1       -4.510   2.138   2.621  0.00  0.00    -0.345 N 
ATOM      9  H   LIG    1       -5.043   2.667   3.296  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -0.833   0.572   2.964  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.951   0.395  -0.598  0.00  0.00    +0.026 C 
ATOM     12  C   LIG    1       -4.246  -1.109  -0.506  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -4.301  -1.727  -1.896  0.00  0.00    +0.160 C 
ATOM     14  O   LIG    1       -5.261  -1.060  -2.714  0.00  0.00    -0.380 OA
ATOM     15  C   LIG    1       -4.955   0.321  -2.897  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -4.954   1.051  -1.561  0.00  0.00    +0.036 C 
ENDBRANCH   5  11
BRANCH   7  17
ATOM     17  N   LIG    1       -0.943  -0.295   0.755  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -1.279   0.015  -0.145  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.493  -0.558   0.811  0.00  0.00    +0.072 C 
ATOM     20  C   LIG    1        1.295   0.717   0.498  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        2.664   0.451  -0.143  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        3.241  -0.904   0.287  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1        2.303  -2.049  -0.171  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1        0.822  -1.658  -0.202  0.00  0.00    +0.024 C 
BRANCH  22  25
ATOM     25  N   LIG    1        4.612  -1.227  -0.129  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.670  -0.747   0.776  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1        6.208   0.655   0.458  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1        6.640   0.750  -0.903  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        5.561   0.447  -1.793  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1        4.975  -0.952  -1.529  0.00  0.00    +0.113 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   7  17
TORSDOF 4