REMARK  Name = BDB012278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.213  -0.419  -0.524  0.00  0.00    +0.093 A 
ATOM      2  N   LIG    1        0.974  -0.706  -0.100  0.00  0.00    -0.164 NA
ATOM      3  N   LIG    1        0.167   0.151  -0.780  0.00  0.00    -0.182 N 
ATOM      4  C   LIG    1        0.891   0.965  -1.646  0.00  0.00    +0.217 A 
ATOM      5  C   LIG    1        2.208   0.605  -1.497  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.249   0.175  -0.586  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -1.975   1.090  -1.301  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -3.314   1.103  -1.119  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -3.976   0.263  -0.244  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.210  -0.647   0.483  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -1.829  -0.714   0.309  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -3.853  -1.592   1.417  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -3.597  -2.781   1.439  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -4.728  -0.988   2.247  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -4.699  -0.013   2.240  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   4  16
ATOM     16  O   LIG    1        0.349   1.894  -2.437  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1       -0.624   1.884  -2.285  0.00  0.00    +0.294 HD
ENDBRANCH   4  16
BRANCH   1  18
ATOM     18  C   LIG    1        3.404  -1.155   0.013  0.00  0.00    +0.216 C 
BRANCH  18  20
ATOM     19  C   LIG    1        4.542   0.554   1.220  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        3.849  -0.683   1.293  0.00  0.00    -0.377 OA
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6