REMARK  Name = BDB054352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.796  -2.377  -1.059  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        1.474  -2.726  -0.756  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        1.141  -3.348   0.463  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.165  -3.655   1.376  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        3.487  -3.309   1.075  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.800  -2.681  -0.135  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        1.795  -4.230   2.564  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        2.759  -5.094   3.149  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1        3.123  -1.677  -2.357  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.573  -0.241  -2.444  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1        2.621   2.095  -1.430  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1        3.260   0.711  -1.453  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1        2.794   0.244  -3.858  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1        3.823   0.149  -4.506  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        1.709   0.850  -4.380  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        1.980   1.100  -5.287  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -0.313  -3.635   0.760  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.033  -2.399   1.006  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -0.680  -1.835   1.764  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -1.791  -1.802   0.024  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -2.037  -2.332  -1.052  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.271  -0.417   0.296  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -2.620   0.385  -0.794  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -3.061   1.700  -0.605  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.159   2.256   0.681  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -2.818   1.425   1.770  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.387   0.106   1.586  0.00  0.00    +0.013 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -3.607   3.708   0.926  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1       -2.461   4.494   1.594  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -4.841   3.726   1.852  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -3.990   4.471  -0.360  0.00  0.00    +0.015 C 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 10