REMARK  Name = BDB021945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.486   0.857   0.655  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.647   0.187   0.183  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.801   0.939   0.200  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.675   1.940   0.208  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.578  -0.970  -0.222  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -4.327  -4.326  -0.018  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -4.465  -2.955  -0.630  0.00  0.00    +0.212 C 
ATOM      8  N   LIG    1       -3.464  -2.032  -0.361  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1       -2.303  -2.279   0.495  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.966  -1.058   1.345  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -1.819   0.230   0.512  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -2.236   0.048  -0.956  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.535  -0.743  -1.042  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1       -5.441  -2.685  -1.331  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1        3.116   0.504  -0.073  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.488  -0.839  -0.172  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.819  -1.199  -0.440  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        5.206  -2.647  -0.517  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.786  -0.199  -0.576  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        5.426   1.143  -0.469  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.098   1.492  -0.217  0.00  0.00    +0.023 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -0.414   2.055   1.496  0.00  0.00    +0.183 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -0.575   3.290   0.681  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1       -0.699   4.450   1.389  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1       -0.826   5.458   0.490  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -0.778   4.967  -0.793  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -0.613   3.567  -0.672  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 4