REMARK  Name = BDB045365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.411  -2.981   1.058  0.00  0.00    +0.187 A 
ATOM      2  C   LIG    1        1.169  -1.736   0.478  0.00  0.00    +0.159 A 
ATOM      3  N   LIG    1       -0.082  -1.222   0.514  0.00  0.00    -0.196 NA
ATOM      4  C   LIG    1       -1.047  -1.940   1.109  0.00  0.00    +0.237 A 
ATOM      5  N   LIG    1       -0.817  -3.139   1.690  0.00  0.00    -0.112 NA
ATOM      6  N   LIG    1        0.428  -3.680   1.669  0.00  0.00    -0.138 NA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        2.878  -4.814   1.701  0.00  0.00    -0.324 N 
ATOM      8  H   LIG    1        3.753  -5.319   1.659  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        2.091  -5.228   2.188  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        2.745  -3.641   1.004  0.00  0.00    +0.265 C 
ATOM     11  O   LIG    1        3.678  -3.177   0.354  0.00  0.00    -0.269 OA
ENDBRANCH   1  10
BRANCH   2  12
ATOM     12  N   LIG    1        2.232  -0.995  -0.090  0.00  0.00    -0.296 N 
ATOM     13  H   LIG    1        3.027  -1.596  -0.309  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.313   0.281  -0.657  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        3.438   0.664  -1.421  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        3.578   1.922  -2.013  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.822   1.936  -2.704  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        5.416   0.711  -2.520  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        2.559   2.874  -1.841  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.444   2.540  -1.074  0.00  0.00    +0.003 A 
ATOM     21  N   LIG    1        4.579  -0.046  -1.745  0.00  0.00    -0.359 N 
ATOM     22  H   LIG    1        4.770  -0.992  -1.444  0.00  0.00    +0.165 HD
ATOM     23  C   LIG    1        1.334   1.275  -0.494  0.00  0.00    +0.025 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   4  24
ATOM     24  N   LIG    1       -2.351  -1.469   1.147  0.00  0.00    -0.308 N 
ATOM     25  H   LIG    1       -2.839  -1.949   1.894  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.533  -0.013   1.090  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1       -2.684   0.455  -0.391  0.00  0.00    +0.071 C 
ATOM     28  C   LIG    1       -3.000   1.954  -0.455  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -4.215   2.338   0.388  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -4.073   1.862   1.831  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -3.778   0.366   1.914  0.00  0.00    +0.024 C 
BRANCH  27  32
ATOM     32  N   LIG    1       -3.732  -0.311  -1.096  0.00  0.00    -0.326 NA
ATOM     33  H   LIG    1       -3.603  -0.198  -2.100  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1       -3.552  -1.299  -0.897  0.00  0.00    +0.119 HD
ENDBRANCH  27  32
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 6