REMARK  Name = BDB063816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.863  -0.921   4.007  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.459  -0.450   2.963  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.203  -0.184   1.703  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.500  -0.486   1.571  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.346   0.372   0.777  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.800   0.437   1.387  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.794  -0.030   2.655  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.555  -0.042   3.307  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.335  -0.286   0.376  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.366  -1.205   0.122  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.172  -0.998  -0.979  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.204  -1.794  -1.369  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.656  -1.095  -2.547  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.897   0.098  -2.833  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.998   0.080  -1.813  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.011   1.012  -1.591  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.178   0.826  -0.481  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.917   0.936   0.800  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.764   1.121  -0.188  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.291   0.620   1.165  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.669  -0.795   0.693  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.541  -0.826  -0.565  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.156   0.268  -1.548  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.311   1.663  -0.943  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.226   1.687   0.586  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3