REMARK  Name = BDB062374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.136   0.913  -0.647  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.024   2.108  -1.383  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        0.988   3.002  -1.092  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.071   2.715  -0.078  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.175   1.535   0.665  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        1.215   0.638   0.372  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   2   7
ATOM      7  O   LIG    1        2.965   2.304  -2.365  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1        2.924   3.532  -3.077  0.00  0.00    +0.277 C 
ENDBRANCH   2   7
BRANCH   1   9
ATOM      9  O   LIG    1        3.174   0.084  -0.997  0.00  0.00    -0.488 OA
BRANCH   9  10
ATOM     10  C   LIG    1        3.295  -1.159  -0.305  0.00  0.00    +0.231 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.492  -1.902  -0.891  0.00  0.00    +0.069 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.666  -3.284  -0.273  0.00  0.00    +0.163 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.023  -2.836   1.627  0.00  0.00    +0.193 C 
ATOM     14  O   LIG    1        4.745  -3.239   1.151  0.00  0.00    -0.383 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  15
ATOM     15  C   LIG    1       -0.836   1.215   1.746  0.00  0.00    +0.143 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.072   0.623   1.204  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -3.107   1.512   0.917  0.00  0.00    +0.220 C 
ATOM     18  O   LIG    1       -3.029   2.701   1.260  0.00  0.00    -0.275 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -4.398   1.086   0.223  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -5.333   0.252   1.087  0.00  0.00    +0.093 C 
ATOM     21  N   LIG    1       -5.875  -0.811   0.221  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -5.321  -1.656   0.359  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -5.676  -0.345  -1.156  0.00  0.00    +0.081 C 
ATOM     24  C   LIG    1       -4.345   0.383  -1.119  0.00  0.00    +0.029 C 
ENDBRANCH  17  19
BRANCH  16  25
ATOM     25  C   LIG    1       -1.962  -0.734   0.719  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -2.749  -1.887   1.283  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -1.279  -1.820   1.524  0.00  0.00    +0.024 C 
ENDBRANCH  16  25
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 10