REMARK  Name = BDB062199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.330  -1.981  -3.400  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.641  -1.413  -2.373  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.227  -0.906  -1.280  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.561  -1.012  -1.329  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.559  -0.340  -0.301  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.782  -0.465  -0.730  0.00  0.00    +0.190 C 
ATOM      7  N   LIG    1       -1.881  -1.083  -1.933  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.714  -1.310  -2.441  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.520  -0.538  -0.319  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.776  -0.084  -0.754  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.689   0.328   0.196  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.939   0.800  -0.057  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.405   1.062   1.284  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.437   0.738   2.303  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.404   0.292   1.540  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        3.192  -0.160   2.009  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.246  -0.583   1.067  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.895  -0.035  -0.059  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1       -2.767   0.549   1.288  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1       -4.060   0.331   2.084  0.00  0.00    +0.179 C 
ATOM     21  O   LIG    1       -5.226   0.902   1.473  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -5.109   1.054   0.054  0.00  0.00    +0.179 C 
ATOM     23  C   LIG    1       -4.254  -0.035  -0.610  0.00  0.00    +0.136 C 
ENDBRANCH   6  18
TORSDOF 2