REMARK  Name = BDB000608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.618   0.490  -0.317  0.00  0.00    -0.328 N 
ATOM      2  H   LIG    1        0.868   1.470  -0.205  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -2.780  -0.942  -0.966  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -3.557  -0.028  -0.239  0.00  0.00    +0.204 A 
ATOM      5  C   LIG    1       -2.967   1.064   0.412  0.00  0.00    +0.167 A 
ATOM      6  C   LIG    1       -1.577   1.209   0.353  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -0.772   0.317  -0.377  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -1.390  -0.775  -1.002  0.00  0.00    +0.072 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -2.777  -2.673  -2.601  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -3.454  -1.976  -1.565  0.00  0.00    -0.491 OA
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  O   LIG    1       -4.928  -0.165  -0.228  0.00  0.00    -0.488 OA
ATOM     12  C   LIG    1       -5.324  -0.957   0.890  0.00  0.00    +0.277 C 
ENDBRANCH   4  11
BRANCH   5  13
ATOM     13  O   LIG    1       -3.816   1.902   1.088  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.276   3.121   1.578  0.00  0.00    +0.277 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1        1.468  -0.143  -1.305  0.00  0.00    +0.219 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.816   0.266  -1.040  0.00  0.00    -0.248 N 
ATOM     17  C   LIG    1        3.571  -0.103   0.087  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        4.870   0.395   0.002  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        5.826   0.180   0.975  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        5.442  -0.573   2.085  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.133  -1.083   2.188  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.973   1.125  -1.260  0.00  0.00    +0.250 C 
ATOM     23  O   LIG    1        5.942   1.706  -1.691  0.00  0.00    -0.282 OA
ATOM     24  C   LIG    1        3.184  -0.850   1.184  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        3.582   0.995  -1.931  0.00  0.00    +0.292 C 
ATOM     26  O   LIG    1        3.282   1.445  -3.015  0.00  0.00    -0.266 OA
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6