REMARK  Name = BDB028164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.828  -0.138  -0.653  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.354   0.181   0.043  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        1.559  -0.471  -0.253  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.587  -1.428  -1.264  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        2.861  -2.083  -1.603  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        3.958  -1.671  -0.889  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        4.848  -2.110  -1.109  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        3.964  -0.756   0.116  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        2.926  -2.938  -2.478  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        0.422  -1.757  -1.966  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.840  -0.189   0.446  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.778  -1.115  -1.658  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.452  -0.807   1.788  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -2.861   0.250   0.799  0.00  0.00    -0.040 A 
ATOM     15  C   LIG    1       -2.087   0.546  -0.340  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -2.569   1.545  -1.191  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1       -3.708   2.249  -0.995  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -4.417   1.947   0.110  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -4.040   0.975   1.022  0.00  0.00    +0.023 A 
ENDBRANCH   1  15
BRANCH  11  20
ATOM     20  C   LIG    1        2.881   0.820   1.591  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.220   2.143   1.063  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1        2.580   2.404   0.315  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        4.144   2.083   0.628  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3