REMARK  Name = BDB058544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.740   1.239  -0.261  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        1.863  -0.195  -0.270  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        0.621  -0.721  -0.656  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.394  -2.103  -0.778  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        1.445  -2.976  -0.499  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.686  -2.489  -0.111  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.227   0.347  -0.859  0.00  0.00    -0.346 N 
ATOM      8  C   LIG    1        2.905  -1.111   0.006  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.439   1.520  -0.641  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.107   1.925   0.469  0.00  0.00    +0.091 C 
ATOM     11  C   LIG    1        2.708   2.294   0.057  0.00  0.00    +0.162 C 
ATOM     12  O   LIG    1        2.392   3.484  -0.006  0.00  0.00    -0.292 OA
ENDBRANCH   1  11
BRANCH   7  13
ATOM     13  C   LIG    1       -1.616   0.263  -1.285  0.00  0.00    +0.127 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.590  -0.094  -0.150  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -2.712   1.041   0.873  0.00  0.00    +0.011 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -3.959  -0.435  -0.750  0.00  0.00    +0.160 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -4.872  -0.848   0.257  0.00  0.00    -0.395 OA
ATOM     18  H   LIG    1       -4.485  -1.611   0.720  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   7  13
TORSDOF 5