REMARK  Name = BDB061283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.418  -3.843   1.339  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -3.717  -2.909   0.972  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1       -2.310  -3.034   0.523  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -1.659  -1.881   0.065  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1       -0.316  -1.915  -0.374  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.343  -3.150  -0.354  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -0.286  -4.301   0.116  0.00  0.00    +0.092 A 
ATOM      8  O   LIG    1       -2.285  -0.655   0.015  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1       -3.571  -0.531   0.499  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -1.609  -4.245   0.552  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -4.295  -1.554   0.967  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -4.085   0.853   0.478  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -3.232   1.917   0.813  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.691   3.236   0.786  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -5.003   3.500   0.418  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -5.867   2.466   0.073  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.406   1.146   0.100  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -5.410   4.801   0.404  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -6.347   4.832   0.150  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1        1.636  -3.308  -0.767  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        1.767  -2.800  -1.585  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
BRANCH  10  22
ATOM     22  O   LIG    1       -2.199  -5.390   1.004  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -1.568  -6.128   0.986  0.00  0.00    +0.292 HD
ENDBRANCH  10  22
BRANCH   5  24
ATOM     24  C   LIG    1        0.376  -0.628  -0.785  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  N   LIG    1        0.657   0.265   0.351  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        1.715  -0.246   1.248  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        3.147  -0.244   0.661  0.00  0.00    +0.120 C 
ATOM     28  N   LIG    1        3.510   1.075   0.085  0.00  0.00    -0.325 N 
ATOM     29  C   LIG    1        2.462   1.687  -0.761  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1        1.065   1.610  -0.104  0.00  0.00    +0.103 C 
BRANCH  28  31
ATOM     31  C   LIG    1        4.843   1.214  -0.329  0.00  0.00    +0.066 A 
ATOM     32  C   LIG    1        5.927   0.713   0.386  0.00  0.00    +0.137 A 
ATOM     33  N   LIG    1        7.232   0.821   0.035  0.00  0.00    -0.242 NA
ATOM     34  C   LIG    1        7.471   1.498  -1.093  0.00  0.00    +0.221 A 
ATOM     35  N   LIG    1        6.543   2.061  -1.874  0.00  0.00    -0.242 NA
ATOM     36  C   LIG    1        5.261   1.909  -1.460  0.00  0.00    +0.137 A 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7