REMARK  Name = BDB047290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.155  -0.927   0.959  0.00  0.00    -0.473 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.722   0.481   0.433  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.459  -0.895   0.407  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.154  -1.364   0.581  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.113  -0.458   0.766  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -0.359   0.911   0.818  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.663   1.380   0.642  0.00  0.00    +0.015 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -4.098   1.037   0.250  0.00  0.00    +0.163 C 
ATOM      9  O   LIG    1       -4.248   2.256   0.196  0.00  0.00    -0.292 OA
BRANCH   8  11
ATOM     10  C   LIG    1       -6.600   0.787   0.026  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -5.263   0.070   0.131  0.00  0.00    +0.076 C 
ENDBRANCH   8  11
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  C   LIG    1        1.899  -0.954  -0.267  0.00  0.00    +0.311 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.204  -0.210  -0.025  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        3.526   0.923  -0.789  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        4.735   1.592  -0.586  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.630   1.139   0.381  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.317   0.022   1.153  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.110  -0.648   0.954  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
BRANCH  12  19
ATOM     19  C   LIG    1        2.114  -2.404  -0.756  0.00  0.00    +0.351 C 
ATOM     20  O   LIG    1        1.412  -3.355  -0.434  0.00  0.00    -0.246 OA
BRANCH  19  21
ATOM     21  O   LIG    1        3.123  -2.562  -1.654  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1        3.663  -1.762  -1.807  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 7