REMARK  Name = BDB012808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229   1.961   0.906  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.295   1.907   0.808  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.692   1.028   1.903  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.833   0.260   2.030  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        3.193  -0.159   3.129  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.678   1.007   2.939  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.440   1.911   2.427  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -2.950  -0.111  -0.749  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -2.286   0.928  -0.090  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -0.923   0.818   0.183  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -0.203  -0.281  -0.161  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -0.855  -1.299  -0.778  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -0.053  -2.513  -1.151  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -2.207  -1.241  -1.099  0.00  0.00    +0.031 A 
BRANCH   8  17
ATOM     15  C   LIG    1       -6.697   0.264  -0.330  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -5.333   0.174  -0.038  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -4.384  -0.019  -1.060  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1       -4.839  -0.121  -2.385  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -6.198  -0.029  -2.682  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -7.121   0.163  -1.656  0.00  0.00    +0.045 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -7.335   0.509   1.949  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -7.704   0.448   0.578  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   8  17
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1        3.545  -0.071   0.825  0.00  0.00    +0.121 A 
ATOM     24  N   LIG    1        2.951  -0.459  -0.344  0.00  0.00    -0.272 N 
ATOM     25  H   LIG    1        1.951  -0.531  -0.525  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1        3.817  -0.756  -1.328  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1        5.019  -0.625  -0.750  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        4.898  -0.217   0.601  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1        6.269  -0.913  -1.531  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1        7.160   0.325  -1.643  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1        7.050  -2.084  -0.930  0.00  0.00    +0.014 C 
ENDBRANCH  27  29
ENDBRANCH   4  23
TORSDOF 5