REMARK  Name = BDB046650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.537  -0.370  -0.767  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.288   0.129  -0.354  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        4.215   1.443   0.098  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        2.893   1.624   0.414  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        2.484   2.482   0.747  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        2.212   0.450   0.187  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        5.317   2.301   0.166  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.550   1.785  -0.246  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        3.047  -0.463  -0.274  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.664   0.471  -0.706  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.774   0.263   0.410  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.007   1.179   1.129  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.378   0.960   1.317  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.001  -0.176   0.785  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -1.220  -1.099   0.078  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        0.147  -0.879  -0.107  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.479  -0.424   1.011  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.217  -0.722  -0.225  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -5.548  -1.282   0.092  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -6.535  -1.100  -1.069  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1       -6.810   0.282  -1.340  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -5.705   1.145  -1.039  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -4.340   0.444  -1.126  0.00  0.00    +0.113 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1        6.725  -2.468  -0.787  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        7.188  -2.193   0.067  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        6.720  -3.453  -1.022  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        5.664  -1.749  -1.275  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        4.896  -2.236  -2.091  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4