REMARK  Name = BDB055142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.179  -0.405  -1.227  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.297  -1.138  -2.432  0.00  0.00    -0.318 NA
ATOM      3  H   LIG    1        0.074  -2.091  -2.392  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        0.152  -0.728  -3.253  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        1.708  -0.515  -1.127  0.00  0.00    +0.325 C 
ATOM      6  O   LIG    1        2.401  -1.274  -1.795  0.00  0.00    -0.249 OA
BRANCH   5   7
ATOM      7  O   LIG    1        2.196   0.357  -0.205  0.00  0.00    -0.452 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.615   0.313  -0.061  0.00  0.00    +0.352 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.079   1.243   1.049  0.00  0.00    +0.343 C 
ATOM     10  O   LIG    1        3.346   1.921   1.753  0.00  0.00    -0.247 OA
BRANCH   9  11
ATOM     11  O   LIG    1        5.427   1.252   1.199  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1        5.912   0.670   0.583  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   5   7
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  C   LIG    1       -0.460  -0.962   0.057  0.00  0.00    +0.065 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.809  -0.350   0.354  0.00  0.00    -0.045 A 
ATOM     15  C   LIG    1       -1.922   0.706   1.268  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.166   1.280   1.536  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.307   0.807   0.890  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.204  -0.238  -0.026  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.961  -0.813  -0.295  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 8