REMARK  Name = BDB054346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.154  -0.972   0.319  0.00  0.00    -0.277 N 
ATOM      2  H   LIG    1        1.685  -0.181  -0.055  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.910  -2.042   0.748  0.00  0.00    +0.267 C 
ATOM      4  O   LIG    1        1.502  -3.095   1.227  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -0.766   0.388  -0.181  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.245  -0.817   0.321  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -1.124  -1.788   0.788  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -2.507  -1.564   0.759  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -3.061  -0.371   0.273  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -2.155   0.595  -0.200  0.00  0.00    +0.070 A 
BRANCH   9  11
ATOM     11  N   LIG    1       -4.429  -0.158   0.247  0.00  0.00    -0.325 N 
ATOM     12  C   LIG    1       -5.006   1.196   0.246  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1       -6.364   1.197   0.968  0.00  0.00    +0.178 C 
ATOM     14  O   LIG    1       -7.333   0.312   0.390  0.00  0.00    -0.377 OA
ATOM     15  C   LIG    1       -6.748  -0.845  -0.226  0.00  0.00    +0.178 C 
ATOM     16  C   LIG    1       -5.395  -1.261   0.376  0.00  0.00    +0.133 C 
ENDBRANCH   9  11
BRANCH   5  18
ATOM     17  C   LIG    1       -0.306   2.512  -1.179  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        0.169   1.292  -0.629  0.00  0.00    -0.493 OA
ENDBRANCH   5  18
ENDBRANCH   1   6
BRANCH   3  19
ATOM     19  C   LIG    1        3.385  -1.823   0.579  0.00  0.00    +0.126 A 
ATOM     20  N   LIG    1        3.753  -0.626   0.051  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1        5.079  -0.395  -0.116  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1        6.044  -1.340   0.235  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        5.639  -2.560   0.776  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.284  -2.810   0.954  0.00  0.00    +0.033 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.454   0.911  -0.690  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        4.540   1.758  -1.202  0.00  0.00    -0.172 NA
ATOM     27  N   LIG    1        5.241   2.818  -1.618  0.00  0.00    -0.284 N 
ATOM     28  H   LIG    1        4.735   3.589  -2.043  0.00  0.00    +0.188 HD
ATOM     29  C   LIG    1        6.579   2.706  -1.404  0.00  0.00    +0.105 A 
ATOM     30  C   LIG    1        6.756   1.483  -0.803  0.00  0.00    +0.050 A 
ENDBRANCH  21  25
ENDBRANCH   3  19
TORSDOF 5