REMARK  Name = BDB000986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.137  -0.193   0.537  0.00  0.00    +0.115 A 
ATOM      2  N   LIG    1        1.013   0.542   0.368  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        1.093   1.551   0.324  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.075  -0.323   0.285  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.504  -1.578   0.428  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.328  -2.712   0.405  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.709  -2.537   0.246  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.261  -1.258   0.103  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.449  -0.110   0.107  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.143  -1.482   0.579  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.884  -0.630  -0.296  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1       -3.766   0.205   0.120  0.00  0.00    -0.304 NA
ATOM     13  C   LIG    1       -2.626  -0.592   0.599  0.00  0.00    +0.098 C 
ATOM     14  C   LIG    1       -1.492   0.448   0.679  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -1.565   1.216   2.014  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -1.820   1.392  -0.502  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -3.215   0.991  -0.982  0.00  0.00    +0.085 C 
ENDBRANCH   1  14
BRANCH   9  18
ATOM     18  C   LIG    1        3.953   1.278  -0.046  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        3.219   2.243   0.145  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        5.248   1.455  -0.442  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        5.531   2.407  -0.634  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        5.817   0.717  -0.827  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2