REMARK  Name = BDB011106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.454  -0.021  -0.419  0.00  0.00    +0.167 A 
ATOM      2  N   LIG    1        1.038  -1.295  -0.503  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.282  -1.458  -0.495  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -0.928  -2.713  -0.644  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -2.342  -2.447  -0.280  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -2.574  -0.929  -0.420  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -2.619  -2.967   1.148  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -2.365  -4.375   1.297  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -1.310  -4.869   0.448  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1       -0.265  -3.803   0.083  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -1.179  -0.418  -0.358  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.686   0.859  -0.261  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.643   1.056  -0.303  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        5.592   0.680  -0.510  0.00  0.00    +0.213 A 
ATOM     15  N   LIG    1        4.789   1.731  -0.335  0.00  0.00    -0.222 NA
ATOM     16  C   LIG    1        3.458   1.476  -0.317  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        2.892   0.222  -0.447  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        3.833  -0.777  -0.603  0.00  0.00    +0.127 A 
ATOM     19  N   LIG    1        5.174  -0.581  -0.628  0.00  0.00    -0.222 NA
BRANCH  14  20
ATOM     20  N   LIG    1        6.951   0.907  -0.517  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1        7.436   0.068  -0.233  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        7.156   1.759  -0.015  0.00  0.00    +0.145 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH  12  23
ATOM     23  N   LIG    1       -1.542   1.958  -0.148  0.00  0.00    -0.310 N 
ATOM     24  C   LIG    1       -0.941   3.252  -0.534  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1       -1.946   4.379  -0.250  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1       -2.300   4.498   1.138  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -2.048   3.303   1.891  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1       -2.333   2.014   1.102  0.00  0.00    +0.134 C 
ENDBRANCH  12  23
TORSDOF 3