REMARK  Name = BDB064031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.031   2.751   2.501  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.288   1.843   1.736  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.653   0.961   0.992  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.981   1.089   1.106  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.065   0.082   0.208  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.310   0.377   0.443  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.497   1.377   1.333  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.378   1.793   1.609  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.003   0.294   0.408  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.197   0.932   0.032  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.199   0.180  -0.606  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.049  -1.184  -0.864  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.121  -1.792  -1.497  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.062  -0.902  -1.714  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.857  -1.817  -0.467  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.740   0.694  -1.185  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        2.851  -1.075   0.169  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.333  -0.278  -0.169  0.00  0.00    -0.305 N 
ATOM     19  H   LIG    1       -1.968  -1.076  -0.682  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.641  -0.506   0.437  0.00  0.00    +0.160 C 
ATOM     21  C   LIG    1       -4.436   0.795   0.584  0.00  0.00    +0.233 C 
ATOM     22  O   LIG    1       -4.201   1.701   1.369  0.00  0.00    -0.274 OA
ATOM     23  N   LIG    1       -5.435   0.817  -0.370  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1       -5.934   1.681  -0.549  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -5.281  -0.256  -1.304  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1       -4.539  -1.314  -0.507  0.00  0.00    +0.050 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3