REMARK  Name = BDB027988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.077   0.377   0.505  0.00  0.00    +0.144 C 
ATOM      2  C   LIG    1       -0.243  -1.139   0.686  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.702  -1.877   0.978  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.492  -1.672   0.496  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -1.570  -2.667   0.655  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -2.682  -1.011   0.359  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -3.745  -1.625   0.391  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.619   0.473   0.119  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1       -1.401   1.111   0.764  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.112   0.505  -1.985  0.00  0.00    +0.106 C 
ATOM     11  N   LIG    1        0.627   0.741  -0.751  0.00  0.00    -0.286 NA
BRANCH  11  12
ATOM     12  C   LIG    1        1.992   0.169  -0.875  0.00  0.00    +0.180 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.891   0.515   0.316  0.00  0.00    +0.225 C 
ATOM     14  O   LIG    1        3.324   1.638   0.555  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1        3.184  -0.537   1.142  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1        3.663  -0.299   2.000  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        2.532  -1.319   1.187  0.00  0.00    +0.145 HD
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 3