REMARK  Name = BDB062535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.263  -1.425  -0.909  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.273  -1.750   0.188  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -1.996  -1.205   0.027  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1       -0.843  -2.070   0.351  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1       -1.016  -3.520  -0.141  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1        0.423  -1.530  -0.313  0.00  0.00    +0.049 C 
ATOM      7  C   LIG    1        0.746  -0.143   0.221  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -0.479   0.755   0.181  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -0.290   2.154   0.311  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -1.373   3.031   0.375  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -2.661   2.507   0.321  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.861   1.125   0.215  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -1.786   0.223   0.125  0.00  0.00    +0.042 A 
ATOM     14  O   LIG    1       -3.566  -2.548   1.078  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -1.214   4.505   0.499  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -2.132   5.272   0.237  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1       -0.015   4.984   0.948  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        0.678   4.403   1.396  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        0.029   5.980   1.124  0.00  0.00    +0.145 HD
ENDBRANCH  10  15
BRANCH   7  20
ATOM     20  N   LIG    1        1.820   0.457  -0.564  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        1.651   0.521  -1.562  0.00  0.00    +0.150 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.092  -0.046  -0.386  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        3.471  -0.538   0.803  0.00  0.00    -0.221 NA
ATOM     24  C   LIG    1        4.739  -0.999   0.901  0.00  0.00    +0.136 A 
ATOM     25  C   LIG    1        5.632  -0.992  -0.141  0.00  0.00    +0.077 A 
ATOM     26 CL   LIG    1        7.227  -1.582   0.014  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1        5.147  -0.476  -1.317  0.00  0.00    +0.136 A 
ATOM     28  N   LIG    1        3.888  -0.004  -1.463  0.00  0.00    -0.221 NA
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 3