REMARK  Name = BDB016225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.609   0.773  -0.989  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -1.638   0.341  -0.110  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1       -1.549  -0.979   0.225  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.699  -1.702   0.639  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.149  -1.261   2.009  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -3.999  -0.034   1.982  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -3.650   1.041   1.236  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -4.292   1.810   1.394  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.007   0.047   2.689  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.775  -1.815  -0.440  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -2.593   1.268   0.337  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -2.524   2.594  -0.137  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -1.518   3.012  -1.006  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.557   2.105  -1.425  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        0.092  -1.008  -2.467  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1        0.446  -0.143  -1.497  0.00  0.00    -0.014 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.842  -0.145  -0.997  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        2.934  -0.095  -1.871  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        4.241  -0.075  -1.373  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.481  -0.099   0.002  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        3.399  -0.140   0.879  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        2.089  -0.160   0.382  0.00  0.00    +0.012 A 
BRANCH  20  23
ATOM     23  O   LIG    1        5.802  -0.074   0.352  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        6.098  -0.107   1.743  0.00  0.00    +0.277 C 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3