REMARK  Name = BDB061262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.590  -1.360   1.105  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -2.927  -1.545   0.696  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1       -3.561  -2.792   0.818  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -4.964  -2.910   0.354  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1       -5.585  -1.690  -0.188  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1       -4.880  -0.554  -0.235  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -5.630  -3.936   0.390  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -2.858  -3.867   1.376  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -1.542  -3.699   1.803  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1       -3.568  -0.441   0.180  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1       -0.924  -2.459   1.667  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -5.451   0.695  -0.773  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -6.745   1.118  -0.429  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -7.268   2.312  -0.937  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -6.492   3.090  -1.788  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -5.207   2.696  -2.136  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -4.686   1.504  -1.628  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -6.959   4.261  -2.306  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -7.866   4.402  -1.988  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   8  20
ATOM     20  O   LIG    1       -3.439  -5.094   1.517  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -2.815  -5.715   1.926  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
BRANCH  11  22
ATOM     22  O   LIG    1        0.370  -2.381   2.104  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        0.743  -1.532   1.767  0.00  0.00    +0.292 HD
ENDBRANCH  11  22
BRANCH   1  24
ATOM     24  C   LIG    1       -0.949   0.015   1.028  0.00  0.00    +0.127 C 
BRANCH  24  28
ATOM     25  N   LIG    1        3.193   0.207   0.110  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        2.559   1.468   0.520  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1        1.142   1.256   1.126  0.00  0.00    +0.100 C 
ATOM     28  N   LIG    1        0.503  -0.032   0.771  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1        0.813  -0.352  -0.635  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1        2.340  -0.487  -0.879  0.00  0.00    +0.100 C 
BRANCH  25  31
ATOM     31  C   LIG    1        4.559   0.375  -0.410  0.00  0.00    +0.085 C 
BRANCH  31  32
ATOM     32  C   LIG    1        5.565   0.758   0.686  0.00  0.00    +0.018 C 
BRANCH  32  34
ATOM     33  C   LIG    1        7.271   1.851  -0.867  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        7.039   0.814   0.232  0.00  0.00    -0.016 C 
ATOM     35  C   LIG    1        7.572  -0.552  -0.199  0.00  0.00    +0.007 C 
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  25  31
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 9