REMARK  Name = BDB060092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.552  -0.588  -0.027  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.389  -0.471  -0.792  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.266   0.074  -0.159  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.274   0.468   1.177  0.00  0.00    +0.093 A 
ATOM      5  N   LIG    1       -0.954   0.961   1.544  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -1.724   0.863   0.476  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.444   0.325   1.953  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        1.518   0.710   3.401  0.00  0.00    +0.046 C 
ATOM      9  N   LIG    1       -1.014   0.346  -0.586  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1       -1.524   0.106  -1.915  0.00  0.00    +0.150 C 
ATOM     11  C   LIG    1        2.580  -0.220   1.321  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        3.647  -1.150  -0.650  0.00  0.00    -0.456 OA
BRANCH  12  17
ATOM     13  C   LIG    1        7.202  -0.580  -0.329  0.00  0.00    +0.218 A 
ATOM     14  N   LIG    1        7.339   0.759  -0.450  0.00  0.00    -0.221 NA
ATOM     15  C   LIG    1        6.209   1.471  -0.646  0.00  0.00    +0.118 A 
ATOM     16  C   LIG    1        4.946   0.910  -0.718  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1        4.841  -0.469  -0.565  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1        5.986  -1.236  -0.386  0.00  0.00    +0.113 A 
BRANCH  13  20
ATOM     19  C   LIG    1        9.529  -0.631  -0.093  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1        8.315  -1.374  -0.139  0.00  0.00    -0.480 OA
ENDBRANCH  13  20
ENDBRANCH  12  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -3.160   1.274   0.410  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.906   0.136  -0.025  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.259   0.287  -0.146  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.932  -0.863  -0.569  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -7.322  -0.845  -0.730  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -8.040   0.331  -0.501  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.369   1.478  -0.078  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.983   1.455   0.104  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -8.058  -2.047  -1.179  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -8.979  -2.003  -1.974  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.632  -3.181  -0.585  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -7.005  -3.047   0.151  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 8