REMARK  Name = BDB049364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.407  -0.277   0.607  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.562  -1.233   0.022  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        0.183  -0.981  -0.031  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.818  -1.756  -0.551  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.938  -1.092  -0.349  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1       -1.682   0.115   0.275  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1       -0.325   0.200   0.498  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        0.494   1.169   1.088  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        1.869   0.906   1.133  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     10  N   LIG    1        5.950  -0.665  -0.469  0.00  0.00    -0.315 N 
ATOM     11  C   LIG    1        6.673  -0.910   0.698  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        7.890  -1.060   0.753  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        5.875  -0.987   1.950  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        4.550  -0.798   1.921  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.860  -0.516   0.677  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1        4.578  -0.459  -0.459  0.00  0.00    +0.097 A 
BRANCH  10  18
ATOM     17  C   LIG    1        7.153   0.862  -1.994  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        6.677  -0.558  -1.732  0.00  0.00    +0.121 C 
ENDBRANCH  10  18
ENDBRANCH   1  15
BRANCH   6  19
ATOM     19  C   LIG    1       -2.667   1.112   0.660  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.941   2.152  -0.441  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.002   3.289  -0.449  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -2.076   4.061  -1.710  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1       -2.946   5.324  -1.607  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1       -2.490   6.246  -0.607  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1       -1.730   5.619   0.433  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1       -2.202   4.184   0.716  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
BRANCH   5  27
ATOM     27  C   LIG    1       -3.298  -1.575  -0.754  0.00  0.00    +0.079 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.036  -2.299   0.379  0.00  0.00    +0.043 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.684  -3.762   0.507  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -2.510  -4.162   1.160  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -2.187  -5.515   1.273  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.033  -6.483   0.737  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.201  -6.098   0.083  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.525  -4.745  -0.034  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8