REMARK  Name = BDB018409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.192   1.250   0.485  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.779   1.655   0.638  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.498   2.971   0.728  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.473   3.950   0.687  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.067   5.342   0.811  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.820   3.646   0.556  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.732   4.466   0.526  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.144   2.204   0.442  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1       -2.479  -3.034  -2.234  0.00  0.00    +0.049 C 
ATOM     10  C   LIG    1       -2.749  -2.200  -1.026  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.509  -2.844   0.087  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -3.912  -3.999   0.021  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -3.732  -2.057   1.190  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1       -4.242  -2.502   1.944  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -3.314  -0.756   1.311  0.00  0.00    +0.094 A 
ATOM     16  C   LIG    1       -2.633  -0.145   0.322  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1       -2.354  -0.922  -0.882  0.00  0.00    +0.018 A 
ENDBRANCH   1  16
BRANCH   2  18
ATOM     18  C   LIG    1        0.276   0.687   0.699  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.406   0.658  -0.088  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.154  -0.439   0.303  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        1.548  -1.087   1.321  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        0.419  -0.418   1.550  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.394  -0.898  -0.241  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        4.103  -1.989   0.309  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        5.314  -2.393  -0.288  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        5.824  -1.736  -1.406  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.131  -0.662  -1.946  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.927  -0.244  -1.371  0.00  0.00    +0.029 A 
BRANCH  24  29
ATOM     29  C   LIG    1        3.705  -2.740   1.472  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        3.491  -3.402   2.402  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 4