REMARK  Name = BDB051000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.132  -0.632   0.266  0.00  0.00    +0.213 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.514   0.023  -0.303  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1        2.263  -0.030   0.581  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        2.176   0.362   1.738  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        1.247  -0.571  -0.159  0.00  0.00    -0.215 N 
ATOM      6  C   LIG    1        1.664  -0.851  -1.422  0.00  0.00    +0.310 C 
ATOM      7  O   LIG    1        0.985  -1.255  -2.351  0.00  0.00    -0.252 OA
ATOM      8  N   LIG    1        3.012  -0.596  -1.505  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        3.494  -0.618  -2.393  0.00  0.00    +0.151 HD
BRANCH   2  12
ATOM     10  C   LIG    1        5.613   1.514   1.231  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.698   0.026   1.017  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        4.716  -0.683   0.287  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        4.856  -2.080   0.154  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.949  -2.753   0.700  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.921  -2.046   1.397  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.795  -0.668   1.556  0.00  0.00    +0.004 A 
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.842   0.674  -0.128  0.00  0.00    +0.234 C 
ATOM     18  N   LIG    1       -2.235   0.719   0.007  0.00  0.00    -0.293 N 
ATOM     19  O   LIG    1       -0.194   1.644  -0.533  0.00  0.00    -0.274 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.917   1.998  -0.277  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1       -4.201   1.853  -1.096  0.00  0.00    +0.028 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.196   2.717   1.026  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -2.084   3.405   1.781  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.139   4.225   1.091  0.00  0.00    +0.005 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
BRANCH  18  25
ATOM     25  C   LIG    1       -3.022  -0.398   0.541  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.579  -1.354  -0.493  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.645  -2.192  -0.124  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.177  -3.117  -1.025  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.646  -3.224  -2.307  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.583  -2.409  -2.687  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.051  -1.483  -1.787  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH   1  17
TORSDOF 7