REMARK  Name = BDB014217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.248   1.655  -0.553  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -0.018   0.276  -0.509  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -0.200  -0.518  -1.633  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.108  -1.851  -1.274  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        0.471  -1.860   0.062  0.00  0.00    +0.047 A 
ATOM      6  N   LIG    1       -0.605  -0.028  -2.828  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -0.822   1.304  -2.854  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        0.390  -0.557   0.507  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.581  -0.250   1.457  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -0.666   2.170  -1.782  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.045   2.479   0.659  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1        0.329   2.018   1.727  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -0.158   4.641   1.531  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -0.331   3.780   0.405  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   5  15
ATOM     15  C   LIG    1        0.901  -2.949   0.986  0.00  0.00    +0.158 C 
ATOM     16  C   LIG    1        0.830  -4.344   0.387  0.00  0.00    +0.044 C 
BRANCH  15  17
ATOM     17  O   LIG    1        0.031  -2.875   2.108  0.00  0.00    -0.386 OA
ATOM     18  H   LIG    1       -0.868  -3.050   1.778  0.00  0.00    +0.210 HD
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 4