REMARK  Name = BDB049824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.380   0.200  -1.533  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        3.575   0.548  -2.104  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1        3.668   1.090  -2.952  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        4.587   0.032  -1.335  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        3.937  -0.634  -0.295  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.716  -1.280   0.684  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        6.120  -1.239   0.570  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.734  -0.562  -0.487  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.977   0.092  -1.464  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.571  -0.499  -0.429  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        4.065  -2.006   1.797  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        3.019  -2.625   1.673  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.700  -1.950   3.011  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.179  -2.332   3.790  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.388  -1.238   3.215  0.00  0.00    +0.145 HD
ENDBRANCH   6  11
BRANCH   1  18
ATOM     16  N   LIG    1        0.039   0.020  -1.344  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        0.310  -0.471  -0.493  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        1.082   0.559  -2.063  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        0.935   1.276  -3.048  0.00  0.00    -0.267 OA
BRANCH  16  23
ATOM     20  N   LIG    1       -4.075   0.931  -0.570  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -3.196   2.003  -1.065  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -1.705   1.700  -0.915  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -1.352   0.366  -1.578  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -2.273  -0.748  -1.079  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.741  -0.344  -1.220  0.00  0.00    +0.086 C 
BRANCH  20  26
ATOM     26  C   LIG    1       -4.089   0.874   0.901  0.00  0.00    +0.084 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.306   0.104   2.972  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.233   0.014   1.454  0.00  0.00    +0.012 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 5