REMARK  Name = BDB022028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.861   1.166  -0.667  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        0.584   1.934  -1.264  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.034   0.785   0.320  0.00  0.00    +0.220 C 
ATOM      4  O   LIG    1        0.130  -0.106   1.146  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.322   1.618   0.283  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -2.095   1.335  -1.018  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -3.603   1.282  -0.806  0.00  0.00    +0.108 C 
ATOM      8  N   LIG    1       -3.964   0.289   0.200  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1       -5.116  -0.464   0.016  0.00  0.00    +0.212 C 
ATOM     10  O   LIG    1       -5.881  -0.291  -0.933  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -5.413  -1.522   1.050  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.091   0.164   1.368  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1       -2.179   1.374   1.536  0.00  0.00    +0.032 C 
ENDBRANCH   3   5
BRANCH   1  16
ATOM     14  C   LIG    1        3.964  -0.949  -0.564  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1        2.693  -0.449  -0.231  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        2.131   0.614  -0.940  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.858   1.182  -1.994  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        4.124   0.699  -2.329  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.677  -0.362  -1.615  0.00  0.00    +0.004 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.334  -1.589   1.437  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        4.563  -2.086   0.224  0.00  0.00    +0.032 C 
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 3