REMARK  Name = BDB015780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.274  -1.407  -1.013  0.00  0.00    +0.320 A 
ATOM      2  N   LIG    1       -1.597  -1.356  -0.818  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.065  -0.249  -0.214  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.232   0.774   0.199  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.118   0.630  -0.054  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.603  -0.461  -0.657  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.529  -0.220   0.021  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -4.230   0.912  -0.193  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -5.603   0.982   0.003  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -6.277   2.244  -0.252  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -6.354  -0.115   0.420  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -7.566  -0.110   0.612  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -5.592  -1.372   0.634  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.269  -1.402   0.438  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1       -0.667  -3.487  -1.999  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1        0.289  -2.503  -1.630  0.00  0.00    -0.466 OA
ENDBRANCH   1  16
BRANCH   5  17
ATOM     17  N   LIG    1        0.982   1.651   0.389  0.00  0.00    -0.329 N 
ATOM     18  H   LIG    1        0.653   2.542   0.025  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.405   1.453   0.087  0.00  0.00    +0.107 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.071   0.507   1.094  0.00  0.00    +0.054 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.541   0.331   0.801  0.00  0.00    -0.046 A 
ATOM     22  C   LIG    1        4.961  -0.601  -0.157  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.317  -0.754  -0.447  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.264   0.025   0.215  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.856   0.957   1.168  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.500   1.112   1.459  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 6