REMARK  Name = BDB036940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.762  -0.570   1.103  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        2.692  -0.346   0.543  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        2.100  -1.297  -0.247  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1        2.620  -2.155  -0.368  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        0.957  -1.174  -1.001  0.00  0.00    +0.236 C 
ATOM      6  O   LIG    1        0.622  -2.066  -1.780  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1        0.122   0.096  -0.789  0.00  0.00    +0.144 C 
ATOM      8  C   LIG    1        1.082   1.257  -0.504  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1        1.958   0.962   0.706  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -0.804  -0.128   0.340  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -1.865  -1.113  -0.030  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -2.862  -0.206   0.715  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -1.866   0.918   0.378  0.00  0.00    +0.086 C 
ENDBRANCH   7  10
TORSDOF 1