REMARK  Name = BDB055838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.847   2.079  -0.218  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        0.481   1.775  -0.517  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        0.899   0.438  -0.542  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.038  -0.571  -0.249  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.364  -0.256   0.080  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -1.768   1.082   0.098  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.305  -1.312   0.382  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.004  -1.433   1.563  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -3.072  -0.660   2.818  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -3.787  -2.545   1.506  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -3.607  -3.180   0.293  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -2.714  -2.441  -0.377  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -2.288  -2.845  -1.737  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  O   LIG    1       -1.281   3.408  -0.160  0.00  0.00    -0.426 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -1.780   5.468  -1.175  0.00  0.00    +0.136 C 
ATOM     16  C   LIG    1       -1.287   4.067  -1.385  0.00  0.00    +0.309 C 
ATOM     17  O   LIG    1       -0.950   3.609  -2.468  0.00  0.00    -0.251 OA
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  C   LIG    1        2.330   0.087  -0.908  0.00  0.00    +0.175 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.066  -0.684   0.174  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.387  -0.048   1.386  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.054  -0.737   2.401  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.411  -2.071   2.220  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.103  -2.716   1.025  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.436  -2.028   0.009  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  O   LIG    1        2.317  -0.625  -2.147  0.00  0.00    -0.383 OA
ATOM     26  H   LIG    1        1.595  -0.250  -2.680  0.00  0.00    +0.211 HD
ENDBRANCH  18  25
ENDBRANCH   3  18
TORSDOF 6