REMARK  Name = BDB041979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.019  -0.066   0.071  0.00  0.00    -0.197 N 
ATOM      2  C   LIG    1        0.893  -0.991  -0.459  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        0.680  -2.027  -1.062  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.244  -0.525  -0.158  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        2.133   0.692   0.481  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        3.243   1.409   0.886  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.497   0.843   0.636  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.610  -0.404  -0.012  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.471  -1.104  -0.421  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.713   1.019   0.566  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1        0.331   2.130   0.888  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -4.202  -0.130  -0.122  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1       -3.555   0.494   0.918  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1       -4.091   0.919   1.666  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1       -2.194   0.469   1.112  0.00  0.00    +0.272 A 
ATOM     16  O   LIG    1       -1.720   0.849   2.177  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -1.361  -0.142   0.004  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -2.034  -0.784  -0.973  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -3.479  -0.782  -1.044  0.00  0.00    +0.039 A 
BRANCH  12  21
ATOM     20  N   LIG    1       -6.787  -0.058  -0.208  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1       -5.628  -0.093  -0.175  0.00  0.00    +0.117 C 
ENDBRANCH  12  21
ENDBRANCH   1  17
TORSDOF 2