REMARK  Name = BDB039022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.778  -0.154   0.259  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.655   0.554  -0.129  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        4.363  -0.100   0.040  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        3.170   0.806  -0.135  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.311   2.166  -0.499  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        2.187   2.994  -0.630  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.892   2.503  -0.440  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.764   1.150  -0.108  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.327   0.336   0.129  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.142  -0.918   0.478  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.459  -0.947   0.397  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.690   2.747  -0.687  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.862   0.315   0.050  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.710   1.674  -1.060  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.743  -1.219   0.866  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.667  -2.105   0.939  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.290  -1.884   2.323  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -1.987  -3.143   2.845  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -2.685  -3.963   1.760  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -2.961  -3.152   0.501  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -1.665  -2.620  -0.112  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        9.119  -0.238   0.288  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.938   0.462  -0.103  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.705   0.784   0.036  0.00  0.00    +0.128 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.164   0.999  -1.409  0.00  0.00    +0.057 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.632   1.345  -1.471  0.00  0.00    -0.045 A 
ATOM     27  C   LIG    1       -4.596   0.328  -1.525  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -5.959   0.648  -1.558  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1       -6.367   1.986  -1.569  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -5.411   3.000  -1.511  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -4.052   2.682  -1.454  0.00  0.00    +0.004 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -6.938  -0.462  -1.615  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -6.745  -1.486  -2.245  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -8.033  -0.245  -0.857  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -7.978   0.534  -0.272  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7