REMARK  Name = BDB001828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.863   0.994   2.439  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.028   1.337   3.130  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.119   1.896   2.460  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.060   2.122   1.081  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -1.893   1.772   0.390  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.803   1.212   1.064  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.118   0.450   3.220  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.380   0.151   2.619  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.379  -1.254   2.020  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.817  -3.338   3.061  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.667  -2.464   1.885  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.691  -1.605   1.427  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        3.098  -1.040   0.238  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.286  -1.572   0.013  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.693  -2.451   0.983  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.199  -1.351  -1.105  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.835  -0.468  -2.133  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.688  -0.235  -3.215  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.919  -0.884  -3.283  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.297  -1.764  -2.271  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.442  -1.996  -1.189  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.247   2.701   0.345  0.00  0.00    +0.071 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.228   1.626  -0.152  0.00  0.00    +0.199 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.721   0.875  -1.299  0.00  0.00    -0.339 N 
ATOM     25  C   LIG    1       -4.510   1.372  -2.562  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -4.013   0.353  -3.344  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -3.917  -0.798  -2.528  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -4.359  -0.449  -1.272  0.00  0.00    +0.086 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -6.562   2.262  -0.481  0.00  0.00    +0.328 C 
ATOM     30  O   LIG    1       -6.753   3.396  -0.892  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.610   1.434  -0.279  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -8.391   1.949  -0.575  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10