REMARK  Name = BDB041100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.737  -2.816   1.693  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.472  -1.597   1.066  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -2.367  -1.043   0.218  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -3.541  -1.676   0.030  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -3.891  -2.835   0.614  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -2.976  -3.370   1.442  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.496  -1.087  -0.927  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.902   0.274  -0.911  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.776   0.737  -1.919  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.274  -0.118  -2.902  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.909  -1.455  -2.903  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.031  -1.930  -1.928  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.428   1.254   0.162  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -5.587   2.007   0.828  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -3.408   2.238  -0.416  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1        0.417  -3.635   2.096  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.928  -3.501   2.554  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1       -0.271  -0.879   1.347  0.00  0.00    -0.315 N 
ATOM     19  C   LIG    1       -0.427  -0.230   2.657  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  C   LIG    1        0.081   0.045   0.248  0.00  0.00    +0.109 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.579   0.417   0.280  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        1.859   1.547  -0.733  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        3.312   1.598  -1.219  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        4.285   1.036  -0.175  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        3.970  -0.439   0.129  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        2.483  -0.789  -0.003  0.00  0.00    +0.006 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.734   1.199  -0.591  0.00  0.00    +0.044 A 
ATOM     28  N   LIG    1        6.065   0.874  -1.865  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        7.361   0.998  -2.226  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.361   1.426  -1.371  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        8.012   1.746  -0.065  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        6.684   1.630   0.335  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7