REMARK  Name = BDB052901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.221  -2.860   2.918  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.213  -2.364   1.889  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -0.820  -1.139   1.029  0.00  0.00    +0.131 C 
ATOM      4  C   LIG    1       -1.690  -0.961  -0.243  0.00  0.00    +0.071 C 
ATOM      5  C   LIG    1       -3.035  -1.545  -0.045  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -3.242  -2.465   0.951  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -4.548  -2.847   0.846  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1       -5.039  -3.523   1.418  0.00  0.00    +0.191 HD
ATOM      9  N   LIG    1       -5.207  -2.223  -0.154  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1       -4.273  -1.442  -0.708  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -2.377  -2.955   1.861  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.884   0.501  -0.621  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1       -1.376   0.968  -1.845  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -1.489   2.314  -2.198  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.112   3.212  -1.335  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.625   2.767  -0.120  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.511   1.422   0.237  0.00  0.00    +0.004 A 
ENDBRANCH   4  12
BRANCH   3  18
ATOM     18  C   LIG    1        0.636  -1.142   0.585  0.00  0.00    +0.227 C 
ATOM     19  N   LIG    1        1.146   0.135   0.398  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1        0.501   0.911   0.518  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.244  -2.189   0.392  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.442   0.491  -0.027  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.475  -0.424  -0.243  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.738   0.011  -0.665  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        4.968   1.376  -0.871  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        3.944   2.304  -0.656  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        2.687   1.857  -0.235  0.00  0.00    +0.025 A 
BRANCH  25  28
ATOM     28  N   LIG    1        6.290   1.836  -1.314  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        6.445   3.053  -1.492  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        7.172   0.983  -1.483  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 4