REMARK  Name = BDB046551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007   2.278   0.125  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.686   1.560  -1.006  0.00  0.00    +0.164 C 
ATOM      3  O   LIG    1       -0.151   1.465  -2.109  0.00  0.00    -0.292 OA
BRANCH   2   5
ATOM      4  C   LIG    1       -2.720   0.384  -1.714  0.00  0.00    +0.011 C 
ATOM      5  C   LIG    1       -2.018   0.953  -0.724  0.00  0.00    +0.047 C 
BRANCH   4  10
ATOM      6  C   LIG    1       -6.237  -0.407  -0.503  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -6.519  -1.516  -1.311  0.00  0.00    +0.158 A 
ATOM      8  C   LIG    1       -5.585  -1.995  -2.226  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -4.345  -1.364  -2.339  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.030  -0.261  -1.535  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -4.991   0.220  -0.629  0.00  0.00    +0.057 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.954   1.060   1.238  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -7.232  -0.015   0.353  0.00  0.00    -0.491 OA
ENDBRANCH   6  13
BRANCH   7  14
ATOM     14  O   LIG    1       -7.736  -2.135  -1.197  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1       -7.775  -2.877  -1.819  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
ENDBRANCH   4  10
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.639   1.323   1.088  0.00  0.00    +0.164 C 
ATOM     17  O   LIG    1        0.058   0.963   2.110  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1        1.994   0.814   0.733  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        2.657   0.019   1.585  0.00  0.00    +0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.986  -0.547   1.313  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        4.998   0.188   0.674  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        6.261  -0.373   0.453  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1        6.505  -1.682   0.891  0.00  0.00    +0.158 A 
ATOM     24  C   LIG    1        5.516  -2.418   1.542  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        4.261  -1.846   1.756  0.00  0.00    +0.012 A 
BRANCH  22  26
ATOM     26  O   LIG    1        7.308   0.260  -0.165  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        7.099   1.591  -0.616  0.00  0.00    +0.277 C 
ENDBRANCH  22  26
BRANCH  23  28
ATOM     28  O   LIG    1        7.737  -2.240   0.679  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1        7.745  -3.141   1.037  0.00  0.00    +0.292 HD
ENDBRANCH  23  28
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 10