REMARK  Name = BDB032945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.138  -0.677   0.340  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.809  -1.046   0.656  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.512  -2.368   1.034  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.516  -3.335   1.053  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.816  -2.986   0.703  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.126  -1.668   0.354  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.531   2.738  -0.492  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.627   1.240  -0.340  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -2.426   0.677   0.036  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.641   1.319   0.185  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.687   0.655  -0.532  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.293  -0.033   0.593  0.00  0.00    +0.251 C 
ATOM     13  N   LIG    1        1.503  -0.518   0.136  0.00  0.00    -0.266 N 
ATOM     14  H   LIG    1        1.539  -1.463  -0.213  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        0.021   1.127   0.883  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.683   0.231   0.014  0.00  0.00    +0.125 A 
ATOM     17  N   LIG    1        2.737   1.506   0.437  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        3.903   2.172   0.300  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        5.045   1.617  -0.248  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.983   0.300  -0.680  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        3.788  -0.405  -0.547  0.00  0.00    +0.044 A 
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 3