REMARK  Name = BDB005229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.645  -0.602   3.332  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.112  -0.533   1.883  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.101   0.029   1.001  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        1.572   1.129   0.295  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        0.984   1.735  -0.581  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        2.943   1.416   0.758  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        3.852   2.416   0.427  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        5.101   2.377   1.084  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.421   1.376   2.015  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.497   0.384   2.326  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.260   0.419   1.699  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -0.109  -0.721   0.646  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -1.374   0.138   0.681  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -2.623  -0.722   0.441  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -2.360  -1.909  -0.379  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -1.328  -1.666  -1.389  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.026  -1.442  -0.706  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.574  -2.528  -0.933  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.269  -1.748  -2.010  0.00  0.00    +0.121 A 
ATOM     20  N   LIG    1       -5.392  -0.994  -1.766  0.00  0.00    -0.347 N 
ATOM     21  H   LIG    1       -5.838  -0.877  -0.868  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1       -5.779  -0.423  -2.946  0.00  0.00    +0.104 A 
ATOM     23  C   LIG    1       -4.869  -0.867  -3.873  0.00  0.00    +0.130 A 
ATOM     24  N   LIG    1       -3.944  -1.691  -3.288  0.00  0.00    -0.239 NA
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  25
ATOM     25  C   LIG    1        3.663   3.538  -0.536  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        4.447   4.482  -0.556  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        2.630   3.514  -1.419  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        2.487   4.333  -1.993  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        1.852   2.858  -1.355  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 4