REMARK  Name = BDB002886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.150   1.230   1.484  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.084   1.992   2.732  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1       -1.144   2.462   3.100  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1        1.092   2.081   3.381  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1        1.230   2.566   4.252  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        2.081   1.513   2.662  0.00  0.00    +0.252 C 
ATOM      7  O   LIG    1        3.256   1.483   2.978  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.468   0.959   1.430  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   8   9
ATOM      9  C   LIG    1        2.215   0.297   0.415  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.123  -0.795   0.564  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.573  -1.127  -0.717  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.471  -2.174  -0.959  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        4.925  -2.907   0.141  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        4.497  -2.603   1.430  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        2.979  -0.254  -1.599  0.00  0.00    -0.360 N 
ATOM     16  H   LIG    1        3.130  -0.257  -2.599  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.598  -1.554   1.655  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        2.151   0.607  -0.928  0.00  0.00    +0.092 A 
ENDBRANCH   8   9
BRANCH   1  23
ATOM     19  C   LIG    1       -2.840   1.514  -0.812  0.00  0.00    +0.166 A 
ATOM     20  C   LIG    1       -2.895   0.207  -1.325  0.00  0.00    +0.204 A 
ATOM     21  C   LIG    1       -1.960  -0.767  -0.940  0.00  0.00    +0.166 A 
ATOM     22  C   LIG    1       -0.984  -0.428  -0.000  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -0.901   0.875   0.519  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1       -1.840   1.835   0.110  0.00  0.00    +0.058 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.824   3.686  -0.697  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.792   2.387  -1.272  0.00  0.00    -0.491 OA
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  O   LIG    1       -3.840  -0.105  -2.279  0.00  0.00    -0.488 OA
ATOM     28  C   LIG    1       -5.021  -0.592  -1.645  0.00  0.00    +0.277 C 
ENDBRANCH  20  27
BRANCH  21  29
ATOM     29  O   LIG    1       -2.094  -2.005  -1.513  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -1.014  -2.916  -1.349  0.00  0.00    +0.277 C 
ENDBRANCH  21  29
ENDBRANCH   1  23
TORSDOF 5