REMARK  Name = BDB034945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.128   0.106   1.386  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.082   0.494   0.047  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.264   0.788  -0.644  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.508   0.695  -0.007  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        3.550   0.304   1.335  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.368   0.015   2.022  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.061  -0.214   2.180  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.248  -0.208   1.601  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.534  -1.534   0.897  0.00  0.00    +0.096 C 
BRANCH   9  13
ATOM     10  C   LIG    1       -5.457  -1.689  -0.769  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -4.585  -0.622  -0.951  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -3.343  -0.553  -0.418  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1       -2.933  -1.594   0.347  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -3.732  -2.712   0.571  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.005  -2.756   0.006  0.00  0.00    +0.007 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.759  -2.197  -2.851  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -6.815  -1.704  -1.411  0.00  0.00    +0.033 C 
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        4.776   1.036  -0.760  0.00  0.00    +0.059 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.105   2.528  -0.692  0.00  0.00    +0.146 C 
ATOM     20  C   LIG    1        6.031   2.869   0.462  0.00  0.00    +0.234 C 
ATOM     21  O   LIG    1        5.933   2.452   1.608  0.00  0.00    -0.274 OA
ATOM     22  N   LIG    1        7.024   3.720   0.081  0.00  0.00    -0.246 N 
ATOM     23  H   LIG    1        7.733   3.994   0.743  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        7.275   3.850  -1.242  0.00  0.00    +0.279 C 
ATOM     25  O   LIG    1        8.252   4.394  -1.728  0.00  0.00    -0.263 OA
ATOM     26  S   LIG    1        6.028   3.071  -2.179  0.00  0.00    -0.054 S 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 7