REMARK  Name = BDB053295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.132   0.983   2.079  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.575   0.452  -0.551  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -1.813   0.361   0.620  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.663   1.149   0.806  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -0.243   2.012  -0.219  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -1.004   2.109  -1.387  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.159   1.335  -1.550  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1        0.916   2.704   0.017  0.00  0.00    -0.495 OA
ATOM      9  C   LIG    1        1.481   3.419  -1.075  0.00  0.00    +0.277 C 
ENDBRANCH   5   8
BRANCH   2  10
ATOM     10  C   LIG    1       -3.794  -0.418  -0.746  0.00  0.00    +0.049 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.895  -0.198   0.303  0.00  0.00    +0.102 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.019   1.684  -1.101  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.568   1.189   0.268  0.00  0.00    +0.011 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -5.915  -1.319   0.176  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -6.973  -1.246  -0.428  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.528  -2.459   0.797  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.665  -2.406   1.251  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  N   LIG    1        1.164  -0.011   1.901  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.906   0.240   1.262  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        0.953  -1.341   2.179  0.00  0.00    +0.248 C 
ATOM     21  O   LIG    1       -0.032  -1.757   2.784  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.010  -2.295   1.736  0.00  0.00    +0.079 A 
ATOM     23  C   LIG    1        2.809  -2.103   0.597  0.00  0.00    +0.141 A 
ATOM     24  C   LIG    1        3.757  -3.073   0.237  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.936  -4.210   1.025  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.153  -4.400   2.162  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        2.189  -3.452   2.511  0.00  0.00    +0.017 A 
BRANCH  23  28
ATOM     28  O   LIG    1        2.572  -1.021  -0.223  0.00  0.00    -0.455 OA
BRANCH  28  29
ATOM     29  C   LIG    1        3.655  -0.291  -0.662  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        4.700   0.100   0.178  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        5.736   0.886  -0.329  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.718   1.291  -1.664  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.662   0.917  -2.495  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        3.624   0.133  -1.991  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 11