REMARK  Name = BDB050227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.317   1.811  -0.637  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.347   2.713  -0.907  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.499   2.304  -1.584  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.647   0.976  -1.996  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        2.600   0.081  -1.745  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.446   0.493  -1.067  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.261   2.345   0.046  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.848   1.503   0.369  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.842   1.439  -0.788  0.00  0.00    +0.100 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -4.724  -0.255   0.405  0.00  0.00    +0.228 A 
ATOM     11  O   LIG    1       -4.346  -1.232  -0.480  0.00  0.00    -0.440 OA
ATOM     12  C   LIG    1       -3.212  -0.742  -1.065  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1       -2.555  -1.591  -2.073  0.00  0.00    +0.088 C 
ATOM     14  C   LIG    1       -2.953   0.495  -0.515  0.00  0.00    +0.086 A 
ATOM     15  N   LIG    1       -3.919   0.792   0.419  0.00  0.00    -0.214 NA
BRANCH  10  20
ATOM     16  C   LIG    1       -9.466  -1.171   3.591  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -8.255  -0.932   2.740  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -7.515   0.247   2.882  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.367   0.458   2.112  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -5.928  -0.505   1.192  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -6.668  -1.689   1.065  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -7.817  -1.903   1.834  0.00  0.00    +0.004 A 
ENDBRANCH  10  20
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  C   LIG    1        4.907   0.519  -2.695  0.00  0.00    +0.043 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.993  -0.154  -1.825  0.00  0.00    +0.045 C 
ATOM     25  C   LIG    1        5.565  -1.473  -1.185  0.00  0.00    +0.170 C 
ATOM     26  O   LIG    1        4.832  -1.254   0.009  0.00  0.00    -0.340 OA
ATOM     27  C   LIG    1        5.544  -0.467   0.973  0.00  0.00    +0.267 C 
ATOM     28  C   LIG    1        5.934  -1.403   2.119  0.00  0.00    +0.087 C 
ATOM     29  O   LIG    1        6.774   0.060   0.459  0.00  0.00    -0.340 OA
ATOM     30  C   LIG    1        6.569   0.775  -0.757  0.00  0.00    +0.170 C 
BRANCH  27  31
ATOM     31  C   LIG    1        4.611   0.634   1.578  0.00  0.00    +0.365 C 
ATOM     32  O   LIG    1        4.891   1.810   1.770  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        3.374   0.186   1.901  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        2.884   1.004   2.126  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 9