REMARK  Name = BDB016234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.938   0.827   1.703  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -3.180   1.720   0.722  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.838   1.300   0.512  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1       -1.570   0.140  -0.152  0.00  0.00    +0.145 A 
ATOM      5  C   LIG    1       -2.398  -0.602  -1.000  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -1.903  -1.809  -1.525  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -0.608  -2.249  -1.244  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        0.226  -1.500  -0.423  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1       -3.701  -0.282  -1.411  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.197  -0.976  -1.961  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.449   0.836  -1.248  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.591   0.857  -1.714  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.258  -0.307   0.108  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1       -3.875   2.042  -0.580  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   8  15
ATOM     15  O   LIG    1        1.471  -2.029  -0.238  0.00  0.00    -0.484 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.324  -1.463   0.768  0.00  0.00    +0.200 C 
ATOM     17  C   LIG    1        3.300  -2.566   1.185  0.00  0.00    +0.057 C 
BRANCH  16  18
ATOM     18  C   LIG    1        3.102  -0.261   0.258  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1        3.434   0.781   1.138  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        4.160   1.886   0.690  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.567   1.960  -0.641  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.252   0.929  -1.523  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.526  -0.176  -1.077  0.00  0.00    +0.007 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 3