REMARK  Name = BDB061260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.144  -5.110  -1.147  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        2.087  -3.889  -1.038  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1        1.023  -3.115  -1.690  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        1.014  -1.728  -1.532  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1        0.010  -0.944  -2.133  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.969  -1.598  -2.898  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -0.963  -2.985  -3.059  0.00  0.00    +0.092 A 
ATOM      8  O   LIG    1        1.972  -1.076  -0.789  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1        2.961  -1.812  -0.161  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        0.034  -3.741  -2.452  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1        3.076  -3.144  -0.249  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        3.918  -0.993   0.609  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        4.339   0.248   0.104  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.231   1.047   0.824  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.703   0.615   2.055  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        5.295  -0.605   2.584  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.401  -1.404   1.863  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1        6.570   1.427   2.723  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        6.819   1.001   3.559  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1       -1.939  -0.857  -3.515  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -2.611  -1.456  -3.881  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
BRANCH  10  22
ATOM     22  O   LIG    1       -0.017  -5.095  -2.648  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        0.740  -5.503  -2.169  0.00  0.00    +0.292 HD
ENDBRANCH  10  22
BRANCH   5  24
ATOM     24  C   LIG    1       -0.025   0.560  -1.946  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -0.961   1.010  -0.904  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -0.542   0.668   0.461  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -1.580   1.096   1.540  0.00  0.00    +0.100 C 
ATOM     28  N   LIG    1       -2.454   2.243   1.202  0.00  0.00    -0.300 NA
ATOM     29  C   LIG    1       -1.721   3.134   0.285  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1       -1.198   2.463  -1.013  0.00  0.00    +0.100 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -3.717   1.803   0.590  0.00  0.00    +0.088 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -4.673   1.369   1.668  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -6.145   1.684   1.555  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -5.307   2.384   2.587  0.00  0.00    +0.005 C 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 8