REMARK  Name = BDB018747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.300  -0.452  -0.772  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -4.290  -1.310  -0.078  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.124  -0.388   0.310  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -3.205   0.027   1.781  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.241  -0.009   2.441  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.070   0.571   2.325  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.173   0.974   3.248  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.810   0.520   1.724  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.626  -0.250   0.575  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        0.645  -0.320  -0.011  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.733   0.386   0.532  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        1.517   1.150   1.692  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.256   1.212   2.292  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.774  -1.068   0.048  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -3.335   0.846  -0.582  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -4.848   0.955  -0.687  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        3.065   0.319  -0.090  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        3.706  -0.923  -0.268  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1        4.973  -0.932  -0.863  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        5.618   0.224  -1.284  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        6.845  -0.231  -1.817  0.00  0.00    +0.142 A 
ATOM     22  N   LIG    1        6.980  -1.558  -1.744  0.00  0.00    -0.181 NA
ATOM     23  C   LIG    1        4.984   1.463  -1.111  0.00  0.00    +0.012 A 
ATOM     24  N   LIG    1        5.835  -1.955  -1.160  0.00  0.00    -0.277 N 
ATOM     25  H   LIG    1        5.701  -2.945  -0.991  0.00  0.00    +0.189 HD
ATOM     26  C   LIG    1        3.714   1.492  -0.514  0.00  0.00    +0.009 A 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  N   LIG    1       -7.684  -1.121  -1.096  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -6.580  -0.810  -0.942  0.00  0.00    +0.169 C 
ENDBRANCH   1  28
TORSDOF 2