REMARK  Name = BDB053190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.498   0.979   3.434  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -1.320   0.581   2.291  0.00  0.00    +0.188 C 
ATOM      3  C   LIG    1       -2.442   0.137   1.444  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -3.752   0.283   1.934  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -4.845  -0.113   1.163  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -4.634  -0.647  -0.104  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -3.320  -0.788  -0.580  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -2.208  -0.413   0.183  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -0.817  -0.622  -0.271  0.00  0.00    +0.197 C 
ATOM     10  O   LIG    1       -0.586  -1.328  -1.243  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        0.285   0.009   0.511  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1        0.031   0.547   1.712  0.00  0.00    +0.063 C 
ENDROOT
BRANCH  11  13
ATOM     13  C   LIG    1        1.671   0.018  -0.002  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        2.366   1.212  -0.227  0.00  0.00    +0.170 A 
ATOM     15  C   LIG    1        3.669   1.191  -0.715  0.00  0.00    +0.201 A 
ATOM     16  C   LIG    1        4.302  -0.015  -0.994  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        3.636  -1.215  -0.784  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        2.324  -1.195  -0.289  0.00  0.00    +0.016 A 
BRANCH  14  19
ATOM     19  O   LIG    1        1.781   2.427   0.018  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1        2.460   3.084  -0.244  0.00  0.00    +0.292 HD
ENDBRANCH  14  19
BRANCH  15  21
ATOM     21  O   LIG    1        4.318   2.380  -0.923  0.00  0.00    -0.501 OA
ATOM     22  H   LIG    1        5.195   2.115  -1.272  0.00  0.00    +0.292 HD
ENDBRANCH  15  21
BRANCH  16  23
ATOM     23  O   LIG    1        5.579   0.034  -1.477  0.00  0.00    -0.503 OA
ATOM     24  H   LIG    1        5.869  -0.877  -1.660  0.00  0.00    +0.292 HD
ENDBRANCH  16  23
ENDBRANCH  11  13
BRANCH   7  25
ATOM     25  N   LIG    1       -3.176  -1.290  -1.929  0.00  0.00    +0.057 N 
ATOM     26  O   LIG    1       -2.958  -0.450  -2.812  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -3.388  -2.498  -2.099  0.00  0.00    -0.126 OA
ENDBRANCH   7  25
TORSDOF 5