REMARK  Name = BDB056769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.793   0.382  -0.511  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.618   0.686   0.187  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.503  -0.127  -0.056  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.530  -1.179  -0.965  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.686  -1.809  -1.025  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.472  -1.162  -0.183  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.710  -1.456  -1.672  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.779  -0.146   0.443  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.303   0.753   1.444  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.840  -0.661  -1.441  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.870   1.216  -0.282  0.00  0.00    -0.453 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -8.539   0.840  -1.670  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -7.419   0.452  -0.750  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1       -6.141   1.005  -0.918  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -5.089   0.609  -0.090  0.00  0.00    +0.164 A 
ATOM     16  C   LIG    1       -5.317  -0.317   0.928  0.00  0.00    +0.165 A 
ATOM     17  F   LIG    1       -4.334  -0.668   1.770  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -6.576  -0.884   1.095  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -7.623  -0.508   0.251  0.00  0.00    +0.006 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.903  -1.501   0.090  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.666  -0.303  -0.059  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.005  -0.381   0.203  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.681   0.841   0.147  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        7.057   0.908   0.396  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.762  -0.261   0.701  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        7.091  -1.483   0.754  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.716  -1.544   0.505  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.718   2.232   0.329  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        7.169   3.295   0.105  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        9.043   2.165   0.548  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        9.341   3.096   0.468  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7