REMARK  Name = BDB016178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.300   0.309  -0.681  0.00  0.00    +0.065 C 
ATOM      2  N   LIG    1        0.377   0.346   0.426  0.00  0.00    -0.299 NA
ATOM      3  H   LIG    1       -0.070   0.989   1.092  0.00  0.00    +0.187 HD
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.580   1.044  -0.819  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -2.693   0.712   0.007  0.00  0.00    +0.058 A 
ATOM      6  N   LIG    1       -2.564  -0.387   0.873  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1       -1.584  -0.621   1.056  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -3.399  -0.468   2.062  0.00  0.00    +0.076 C 
ATOM      9  C   LIG    1       -4.790  -0.888   1.643  0.00  0.00    +0.118 C 
ATOM     10  C   LIG    1       -5.605   0.307   1.266  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -5.121   1.266   0.439  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -5.844   1.946   0.234  0.00  0.00    +0.155 HD
ATOM     13  O   LIG    1       -6.769   0.419   1.663  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.795  -1.517   3.002  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -3.876   1.457  -0.195  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -3.876   2.526  -1.120  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -2.755   2.846  -1.884  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -1.601   2.097  -1.740  0.00  0.00    +0.012 A 
ENDBRANCH   1   4
BRANCH   1  21
ATOM     19  C   LIG    1        1.659  -1.721  -3.334  0.00  0.00    +0.060 C 
ATOM     20  C   LIG    1        1.363  -0.898  -2.104  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        0.097  -0.504  -1.867  0.00  0.00    +0.045 C 
BRANCH  20  22
ATOM     22  N   LIG    1        2.431  -0.560  -1.283  0.00  0.00    -0.343 N 
ATOM     23  H   LIG    1        2.092  -0.165  -0.392  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.655  -1.322  -1.131  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.578  -0.619  -0.166  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.624  -0.998   1.184  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.471  -0.337   2.076  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.271   0.714   1.631  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.222   1.110   0.296  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.376   0.450  -0.598  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  21
TORSDOF 5