REMARK  Name = BDB049898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.685  -0.379  -1.459  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.507   0.551  -1.668  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1        1.467   0.541  -0.694  0.00  0.00    -0.305 N 
ATOM      4  H   LIG    1        1.482  -0.229  -0.019  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        0.606   1.237  -2.683  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.688   1.314  -0.835  0.00  0.00    +0.224 C 
BRANCH   6   7
ATOM      7  C   LIG    1        3.493   1.327   0.455  0.00  0.00    +0.324 C 
ATOM      8  O   LIG    1        3.240   0.659   1.449  0.00  0.00    -0.249 OA
BRANCH   7   9
ATOM      9  O   LIG    1        4.554   2.176   0.330  0.00  0.00    -0.467 OA
ATOM     10  C   LIG    1        5.377   2.249   1.496  0.00  0.00    +0.280 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -1.337  -0.278  -0.067  0.00  0.00    +0.013 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.949   1.107   0.186  0.00  0.00    +0.001 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.655   1.210   1.543  0.00  0.00    -0.000 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.600  -0.388   1.051  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -4.171   1.000   1.491  0.00  0.00    -0.003 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   1  16
ATOM     16  C   LIG    1       -0.334  -1.813  -1.878  0.00  0.00    +0.110 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.602  -2.564  -0.955  0.00  0.00    +0.236 C 
ATOM     18  N   LIG    1        0.763  -3.887  -1.300  0.00  0.00    -0.197 N 
ATOM     19  H   LIG    1        0.620  -4.215  -2.250  0.00  0.00    +0.182 HD
ATOM     20  O   LIG    1        1.185  -2.069   0.006  0.00  0.00    -0.274 OA
BRANCH  18  21
ATOM     21  O   LIG    1        1.737  -4.588  -0.547  0.00  0.00    -0.295 OA
ATOM     22  H   LIG    1        2.026  -3.917   0.110  0.00  0.00    +0.241 HD
ENDBRANCH  18  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11