REMARK  Name = BDB048860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.211  -0.736   0.037  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1       -1.398   0.069  -0.886  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -0.219  -0.745  -1.414  0.00  0.00    +0.038 C 
ATOM      4  C   LIG    1        0.667  -1.282  -0.268  0.00  0.00    +0.060 C 
ATOM      5  C   LIG    1       -0.252  -2.085   0.679  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -1.429  -1.247   1.170  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1       -6.403  -1.877   1.597  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -5.680  -1.015   1.110  0.00  0.00    +0.260 A 
ATOM      9  C   LIG    1       -6.181   0.320   0.758  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -5.276   1.201   0.165  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1       -5.722   2.476  -0.186  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -7.047   2.858   0.051  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.939   1.964   0.643  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -3.939   0.855  -0.090  0.00  0.00    -0.216 NA
ATOM     15  C   LIG    1       -3.513  -0.322   0.258  0.00  0.00    +0.199 A 
ATOM     16  C   LIG    1       -7.508   0.687   1.000  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -4.351  -1.231   0.851  0.00  0.00    -0.294 N 
ATOM     18  H   LIG    1       -4.015  -2.164   1.021  0.00  0.00    +0.172 HD
ENDBRANCH   1  15
BRANCH   4  19
ATOM     19  N   LIG    1        1.793  -2.134  -0.742  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.542  -1.592  -1.895  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        3.295  -0.283  -1.587  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.041  -0.356  -0.275  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        3.789  -1.361   0.586  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        2.774  -2.441   0.321  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.040   0.692   0.024  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.297   0.360   0.552  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        7.247   1.349   0.819  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.955   2.685   0.558  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.714   3.031   0.028  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.765   2.041  -0.240  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3