REMARK  Name = BDB063831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.750   2.828   3.334  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.567   2.183   2.321  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.526   1.335   1.563  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.791   1.163   1.969  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.890   0.799   0.464  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.325   1.254   0.533  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.570   2.057   1.592  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.422   2.538   1.812  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.822   0.343   1.313  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.913   0.218  -0.081  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.939  -0.543  -0.605  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.168  -0.767  -1.927  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.338  -1.606  -1.862  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.791  -1.859  -0.515  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.866  -1.163   0.198  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.821  -1.055   1.570  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.791  -0.289   2.127  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.276   0.952  -0.388  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.943   0.248  -1.043  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.716   0.942  -0.166  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.114  -0.307   0.633  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -3.319  -1.576  -0.194  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.742  -1.704  -0.735  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.098  -0.747  -1.868  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.880   0.734  -1.563  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.403   1.116  -1.529  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3