REMARK  Name = BDB048870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.421  -0.689  -1.856  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        1.345  -2.074  -1.426  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1       -0.184  -1.912  -1.526  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        0.110  -0.419  -1.291  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1  13
ATOM      5  O   LIG    1        3.333   3.482  -1.819  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        3.378   2.326  -1.416  0.00  0.00    +0.260 A 
ATOM      7  C   LIG    1        4.443   1.848  -0.523  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1        4.399   0.505  -0.146  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1        5.399   0.019   0.700  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        6.417   0.862   1.157  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        6.445   2.202   0.770  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        3.394  -0.373  -0.583  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1        2.455   0.076  -1.358  0.00  0.00    +0.199 A 
ATOM     14  C   LIG    1        5.455   2.702  -0.075  0.00  0.00    +0.015 A 
ATOM     15  N   LIG    1        2.442   1.388  -1.766  0.00  0.00    -0.294 N 
ATOM     16  H   LIG    1        1.722   1.688  -2.403  0.00  0.00    +0.172 HD
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  N   LIG    1       -0.877  -2.660  -0.454  0.00  0.00    -0.292 NA
ATOM     18  C   LIG    1       -2.293  -2.860  -0.803  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -3.138  -1.577  -0.705  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -2.862  -0.813   0.568  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -1.769  -1.098   1.302  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -0.758  -2.146   0.916  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.815   0.242   0.973  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -4.239   0.359   2.305  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -5.152   1.348   2.683  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.657   2.231   1.733  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.252   2.124   0.405  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.340   1.134   0.027  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH   3  17
TORSDOF 3