REMARK  Name = BDB048861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.037   0.853   1.096  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        1.132   1.989   0.975  0.00  0.00    +0.126 C 
ATOM      3  C   LIG    1       -0.091   1.646   1.860  0.00  0.00    +0.076 C 
ATOM      4  C   LIG    1        0.516   0.711   2.910  0.00  0.00    +0.039 C 
ATOM      5  C   LIG    1        1.647  -0.021   2.196  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  14
ATOM      6  O   LIG    1        4.801   2.188  -2.367  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        4.533   1.347  -1.516  0.00  0.00    +0.260 A 
ATOM      8  C   LIG    1        5.335   0.131  -1.339  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        4.939  -0.747  -0.330  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1        5.681  -1.914  -0.135  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        6.794  -2.193  -0.933  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        7.177  -1.303  -1.938  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1        3.828  -0.502   0.492  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1        3.130   0.580   0.313  0.00  0.00    +0.199 A 
ATOM     15  C   LIG    1        6.446  -0.134  -2.145  0.00  0.00    +0.015 A 
ATOM     16  N   LIG    1        3.467   1.482  -0.664  0.00  0.00    -0.294 N 
ATOM     17  H   LIG    1        2.925   2.319  -0.788  0.00  0.00    +0.172 HD
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  N   LIG    1       -1.267   1.164   1.109  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -2.470   1.049   1.945  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -3.726   0.914   1.066  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -3.554  -0.107  -0.034  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1       -2.321  -0.539  -0.358  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -1.067  -0.058   0.321  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.761  -0.599  -0.731  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1       -5.783   0.286  -1.105  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.933  -0.179  -1.750  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.080  -1.536  -2.023  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.079  -2.429  -1.653  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.928  -1.964  -1.010  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH   3  18
TORSDOF 3