REMARK  Name = BDB016299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.029   1.804   2.013  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.764   1.674   0.515  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.199   0.385   0.165  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.226   0.306   0.461  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.877  -0.836   0.261  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.283  -0.988   0.303  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.843  -2.279   0.429  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.057  -3.425   0.462  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.682  -3.304   0.358  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.256   0.030   0.252  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.217  -0.252   0.404  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.194   1.358  -0.002  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.245   2.007   0.040  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.091  -2.035   0.242  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -2.916   2.019  -0.395  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.360  -2.010   0.129  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        1.053  -1.516  -0.955  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        2.380  -1.663  -0.658  0.00  0.00    -0.267 N 
ATOM     19  N   LIG    1        2.595  -2.273   0.529  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        1.362  -2.479   1.004  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.505  -1.260  -1.490  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.726   0.231  -1.435  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        4.253   0.828  -0.279  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.451   2.207  -0.221  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.123   3.006  -1.315  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.597   2.426  -2.468  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.398   1.045  -2.529  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  14  16
TORSDOF 3