REMARK  Name = BDB001631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.510  -0.161  -0.235  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.659  -0.445  -1.307  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1       -1.951  -1.494  -2.179  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.068  -2.299  -1.950  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -3.907  -2.053  -0.854  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.610  -0.988   0.008  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.320   0.859   0.661  0.00  0.00    -0.489 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -2.657   3.197   0.995  0.00  0.00    +0.048 C 
ATOM      9  C   LIG    1       -2.148   2.136   0.034  0.00  0.00    +0.226 C 
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  10
ATOM     10  O   LIG    1       -0.535   0.293  -1.563  0.00  0.00    -0.479 OA
BRANCH  10  11
ATOM     11  C   LIG    1        0.538  -0.128  -0.716  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.720   0.849  -0.791  0.00  0.00    +0.253 C 
ATOM     13  N   LIG    1        2.789   0.604   0.075  0.00  0.00    -0.299 N 
ATOM     14  C   LIG    1        2.856  -0.532   0.997  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1        4.286  -0.854   1.412  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        4.989   0.348   2.043  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1        4.484   1.688   1.506  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        3.897   1.560   0.106  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1        1.723   1.806  -1.567  0.00  0.00    -0.272 OA
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   2  10
BRANCH   5  20
ATOM     20  C   LIG    1       -5.089  -2.946  -0.588  0.00  0.00    +0.191 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.685  -4.108   0.122  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1       -3.802  -3.939   0.492  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7