REMARK  Name = BDB051451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.836   0.555   0.157  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.565  -0.037   0.048  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.480  -1.426   0.008  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.136  -1.684  -0.094  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.719  -2.601  -0.120  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.452  -0.491  -0.138  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.590  -2.272   0.072  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.845  -1.664   0.178  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.307   0.512  -0.061  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.973  -0.274   0.221  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.006  -0.363  -0.240  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.591   0.899  -0.066  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.978   1.075  -0.151  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.819  -0.011  -0.418  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        3.236  -1.274  -0.598  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.847  -1.450  -0.511  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.266   0.135  -0.515  0.00  0.00    +0.248 A 
ATOM     18  O   LIG    1        5.793   1.390  -0.331  0.00  0.00    -0.423 OA
ATOM     19  C   LIG    1        7.123   1.151  -0.487  0.00  0.00    +0.332 A 
ATOM     20  N   LIG    1        7.406  -0.104  -0.739  0.00  0.00    -0.116 NA
ATOM     21  N   LIG    1        6.196  -0.769  -0.758  0.00  0.00    -0.108 NA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  25
ATOM     22  N   LIG    1       -4.993   2.561  -0.525  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -4.991   3.571  -0.590  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -5.407   2.045  -1.288  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -3.978   2.023   0.224  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -3.256   2.736   0.905  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3