REMARK  Name = BDB012984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.173   1.350  -0.419  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.196   0.407  -0.709  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.200   0.823  -0.803  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1       -1.951  -0.461  -1.139  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -1.150  -1.515  -0.368  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.289  -1.039  -0.538  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.876   2.533  -0.267  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1       -3.360  -0.416  -0.833  0.00  0.00    -0.266 N 
ATOM      9  N   LIG    1       -3.768  -0.287   0.448  0.00  0.00    -0.171 NA
ATOM     10  C   LIG    1       -5.111  -0.276   0.385  0.00  0.00    +0.093 A 
ATOM     11  C   LIG    1       -5.519  -0.408  -0.990  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -6.817  -0.442  -1.482  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -7.755  -0.325  -0.435  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.399  -0.192   0.945  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.065  -0.163   1.409  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -4.380  -0.496  -1.740  0.00  0.00    +0.117 A 
ENDBRANCH   4   8
BRANCH   1  21
ATOM     17  C   LIG    1        4.679   0.580   0.219  0.00  0.00    +0.066 A 
ATOM     18  N   LIG    1        4.422  -0.285  -0.771  0.00  0.00    -0.178 NA
ATOM     19  N   LIG    1        3.145  -0.034  -1.095  0.00  0.00    -0.272 N 
ATOM     20  H   LIG    1        2.749  -0.530  -1.885  0.00  0.00    +0.189 HD
ATOM     21  C   LIG    1        2.535   0.895  -0.303  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.535   1.351   0.533  0.00  0.00    +0.057 A 
BRANCH  17  24
ATOM     23  C   LIG    1        7.113   1.073  -0.149  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1        6.037   0.657   0.856  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1        6.418  -0.655   1.543  0.00  0.00    +0.014 C 
ENDBRANCH  17  24
ENDBRANCH   1  21
TORSDOF 3