REMARK  Name = BDB039098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.314   0.290   0.585  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.226  -0.389   0.063  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.862   0.029   0.371  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.796  -0.645  -0.460  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.113  -1.639  -1.411  0.00  0.00    -0.038 A 
ATOM      6  C   LIG    1        2.105  -2.226  -2.182  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        0.756  -1.867  -2.015  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        0.432  -0.907  -1.043  0.00  0.00    +0.083 A 
ATOM      9  N   LIG    1       -0.731  -0.313  -0.586  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.391   0.597   0.401  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.912   0.615   0.582  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.553  -2.032  -1.633  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.436  -0.303  -0.285  0.00  0.00    +0.095 A 
ATOM     14  C   LIG    1        5.409  -1.754  -0.402  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        7.469  -0.115   0.522  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.369   1.466   1.150  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.396   2.879   0.547  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -2.346   3.798   1.313  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -2.013   3.838   2.802  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -1.975   2.439   3.409  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -1.021   1.521   2.647  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        7.054   2.196   1.730  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        5.960   1.462   1.179  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   7  24
ATOM     24  C   LIG    1       -0.247  -2.533  -2.856  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1       -1.152  -3.218  -2.420  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -0.051  -2.271  -4.165  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        0.672  -1.640  -4.347  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   7  24
BRANCH   9  28
ATOM     28  C   LIG    1       -2.086  -0.549  -1.060  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.832  -1.573  -0.204  0.00  0.00    +0.057 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.267  -1.711  -0.647  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1       -5.276  -0.949  -0.042  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.599  -1.061  -0.473  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.923  -1.931  -1.513  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.926  -2.689  -2.123  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.603  -2.579  -1.693  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7