REMARK  Name = BDB047865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.286   0.331  -0.902  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        2.493  -0.871  -0.204  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.531  -1.326   0.721  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        1.448  -2.464   1.567  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.267  -2.382   2.267  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -0.382  -1.238   1.867  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1        0.378  -0.567   0.928  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.149   0.635   0.241  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.117   1.065  -0.672  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        3.316   0.826  -1.897  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.640   1.319  -1.283  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.377   2.389  -0.212  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1        4.766   2.399   0.945  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.687   3.450  -0.690  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1        3.591   4.025   0.100  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1        5.393   0.179  -0.859  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1        7.449  -0.821  -0.190  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        6.766   0.467  -0.608  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -1.660  -0.786   2.407  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.753  -0.863   1.402  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1       -3.156  -1.910   0.598  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1       -2.701  -3.294   0.381  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1       -4.217  -1.483  -0.147  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1       -4.417  -0.187   0.240  0.00  0.00    +0.230 A 
ATOM     25  N   LIG    1       -3.573   0.227   1.169  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -5.500   0.551  -0.400  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1       -6.349  -0.015  -1.356  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -6.212  -1.292  -1.741  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.375   0.727  -1.946  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.570   2.058  -1.585  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -6.738   2.644  -0.634  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.712   1.896  -0.047  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 9