REMARK  Name = BDB026911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.891  -1.474  -0.390  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.624  -2.974  -0.355  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.056  -3.731   0.748  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.829  -5.107   0.802  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.179  -5.749  -0.250  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.235  -5.017  -1.361  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.009  -3.640  -1.418  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -0.314  -0.681  -0.969  0.00  0.00    +0.186 C 
ATOM      9  O   LIG    1       -0.307  -0.304  -2.146  0.00  0.00    -0.290 OA
BRANCH   8  14
ATOM     10  C   LIG    1       -5.036   1.850  -0.368  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1       -4.657   1.118   0.763  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -3.440   0.419   0.716  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -2.602   0.422  -0.400  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.458  -0.392  -0.091  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -1.649  -0.855   1.200  0.00  0.00    +0.095 A 
ATOM     16  C   LIG    1       -3.005   1.166  -1.528  0.00  0.00    +0.014 A 
ATOM     17  N   LIG    1       -2.840  -0.369   1.668  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -3.231  -0.561   2.581  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -4.216   1.869  -1.496  0.00  0.00    +0.046 A 
BRANCH  10  21
ATOM     20  C   LIG    1       -7.069   2.595   0.620  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -6.184   2.587  -0.492  0.00  0.00    -0.495 OA
ENDBRANCH  10  21
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   1  22
ATOM     22  N   LIG    1        2.127  -1.222  -1.180  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1        1.853  -1.305  -2.164  0.00  0.00    +0.123 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.684   0.121  -0.977  0.00  0.00    +0.086 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.464   0.249   0.340  0.00  0.00    +0.050 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.091   1.616   0.485  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        5.414   1.836   0.077  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.989   3.103   0.196  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.241   4.156   0.719  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        5.949   5.718   0.866  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        3.923   3.953   1.123  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        3.349   2.686   1.004  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 8