REMARK  Name = BDB001677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.183   0.530   1.212  0.00  0.00    -0.187 NA
ATOM      2  C   LIG    1       -1.081   0.365   0.295  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.546   0.384   0.545  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -3.158   0.733   1.863  0.00  0.00    +0.258 A 
ATOM      5  O   LIG    1       -2.509   1.063   2.851  0.00  0.00    -0.267 OA
ATOM      6  N   LIG    1       -4.529   0.686   1.939  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1       -4.923   0.923   2.839  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -5.360   0.350   0.866  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.785   0.035  -0.370  0.00  0.00    -0.001 A 
ATOM     10  C   LIG    1       -5.611  -0.300  -1.446  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -6.999  -0.317  -1.281  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.563  -0.001  -0.044  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.744   0.334   1.035  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.327   0.061  -0.502  0.00  0.00    +0.024 A 
ENDBRANCH   2   3
BRANCH   1  16
ATOM     15  C   LIG    1        1.661  -0.427  -0.092  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        1.140   0.439   0.863  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        1.756   0.736   1.615  0.00  0.00    +0.178 HD
ATOM     18  O   LIG    1        1.013  -1.164  -0.830  0.00  0.00    -0.268 OA
BRANCH  15  22
ATOM     19  C   LIG    1        5.952  -0.588  -0.349  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        5.329   0.597   0.045  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.932   0.665   0.133  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        3.150  -0.458  -0.168  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        3.775  -1.639  -0.579  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        5.168  -1.701  -0.662  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.145   0.314  -0.162  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.299  -0.786  -0.472  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  15  22
ENDBRANCH   1  16
TORSDOF 4