REMARK  Name = BDB049831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.527   0.000  -0.392  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.470  -0.350   0.468  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.754  -1.107   1.604  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.540  -1.273   2.217  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -1.351  -1.779   3.071  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -0.574  -0.636   1.474  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -4.037  -1.544   1.940  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.075  -1.192   1.071  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.125  -0.056   0.425  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -4.830  -0.434  -0.077  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.832  -0.636   1.864  0.00  0.00    +0.282 C 
ATOM     12  N   LIG    1        1.795  -0.049   1.030  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        1.476   0.650  -0.219  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.712   1.191  -0.940  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1        3.784   0.106  -1.002  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1        4.167  -0.402   0.397  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        3.177   0.018   1.484  0.00  0.00    +0.109 C 
ATOM     18  O   LIG    1        1.159  -1.166   2.930  0.00  0.00    -0.267 OA
BRANCH  15  19
ATOM     19  N   LIG    1        4.961   0.584  -1.733  0.00  0.00    -0.327 NA
ATOM     20  H   LIG    1        5.668  -0.150  -1.762  0.00  0.00    +0.118 HD
ATOM     21  H   LIG    1        5.383   1.371  -1.242  0.00  0.00    +0.118 HD
ENDBRANCH  15  19
ENDBRANCH   6  11
BRANCH   1  25
ATOM     22  N   LIG    1       -4.223   1.710  -1.956  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -3.969   2.338  -2.709  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -4.899   2.040  -1.282  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -3.266   0.790  -1.614  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -2.262   0.655  -2.299  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3