REMARK  Name = BDB025510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.186   0.984  -0.080  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -1.529   0.615   0.152  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.624   1.463   0.385  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -3.724   0.651   0.502  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -5.157   0.919   0.771  0.00  0.00    +0.200 C 
ATOM      6  O   LIG    1       -5.982  -0.242   0.516  0.00  0.00    -0.375 OA
ATOM      7  C   LIG    1       -5.435  -1.443   1.096  0.00  0.00    +0.166 C 
ATOM      8  C   LIG    1       -4.117  -1.844   0.411  0.00  0.00    +0.085 C 
ATOM      9  C   LIG    1       -3.229  -0.656   0.353  0.00  0.00    +0.073 A 
ATOM     10  N   LIG    1       -1.914  -0.703   0.150  0.00  0.00    -0.167 NA
ATOM     11  O   LIG    1        0.104   2.178  -0.143  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1        5.830  -0.228  -0.973  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        4.610   0.080  -0.146  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        3.311  -0.269  -0.581  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1        3.137  -0.887  -1.834  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        3.929  -1.474  -2.080  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1        1.860  -1.546  -2.049  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        0.735  -0.578  -1.750  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1        0.774  -0.183  -0.269  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        2.197   0.128   0.193  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        2.404   0.739   1.443  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.689   1.028   1.891  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.785   0.710   1.097  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -2.518   2.810   0.473  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -1.634   3.256   0.196  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -3.323   3.416   0.342  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
TORSDOF 2